data_1wep_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 1wep _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 ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.806 0.252 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.55 141.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -117.98 -43.58 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.4 t -59.1 172.44 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.77 -21.26 48.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -85.05 23.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 3.4 mpt_? 47.95 49.32 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 55.3 mm-40 -124.14 143.44 42.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -176.7 155.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' NE2' ' A' ' 38' ' ' HIS . 2.7 m120 -133.6 110.72 10.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 24' ' ' ASN . 84.8 t -61.07 -63.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' VAL . 12.0 m-80 -34.36 -46.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.54 165.19 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 28' ' ' ILE . 3.2 t80 -95.91 148.41 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.6 mtp -131.71 140.18 49.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -104.22 167.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -119.53 120.68 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.85 127.58 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.01 24.7 8.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.28 -47.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -6.08 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 62.87 46.77 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -114.65 147.15 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -98.78 143.05 29.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 78.5 m-85 -144.91 161.92 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 m80 -85.65 127.7 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.98 -26.47 5.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.41 -36.28 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -72.25 -27.64 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.19 -38.09 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.37 32.37 3.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.1 mt -118.92 120.49 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -78.81 136.88 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.75 -39.57 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.54 -24.69 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -93.62 -30.51 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.35 -46.87 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.01 -20.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -96.87 -23.93 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' ALA . 87.1 mt -73.73 99.85 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -62.07 -45.45 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.93 95.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.567 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -67.4 134.75 52.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 32.7 m170 -114.5 112.04 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.454 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.63 156.94 8.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.78 8.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' CYS . 7.5 t0 -109.92 -25.55 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.6 m -98.39 -31.38 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.03 -22.86 17.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.86 -1.26 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.94 -44.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -84.16 -48.74 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.29 -156.07 21.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.26 9.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.9 p -84.37 134.63 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.1 mm -67.44 157.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.5 mtp -125.85 141.42 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 58.4 mttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.863 0.276 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' C ' ' A' ' 18' ' ' ARG . 27.2 m -91.61 145.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -121.31 -37.41 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.82 176.28 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -84.11 -24.31 30.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.27 0.04 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 14.2 mmt180 70.59 40.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 39.9 mm-40 -117.36 144.8 34.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -54.46 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -176.96 156.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.6 117.7 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -71.8 -44.45 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.465 ' N ' HG12 ' A' ' 23' ' ' VAL . 3.8 m-80 -65.58 -37.56 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.68 138.98 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.21 150.77 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mtp -150.28 153.34 35.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -129.87 176.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 50.3 tt0 -128.53 128.62 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 t -73.1 122.38 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.38 3.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' PHE . 93.9 mt -128.68 -45.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.84 -6.43 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.5 51.56 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 8.4 m-20 -112.04 -174.06 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -138.16 136.89 37.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -142.95 172.25 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -99.46 156.53 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -70.76 -30.87 67.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -80.05 -23.23 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 43' ' ' GLY . 13.8 m -101.99 -29.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 97.99 39.3 3.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.553 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 95.2 mt -122.96 150.53 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 44' ' ' ILE . 22.5 mt-10 -118.9 143.86 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.88 -39.18 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.46 -29.15 69.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -89.03 -34.04 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.21 -53.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -50.36 -18.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -101.0 -26.86 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.4 mt -70.12 93.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -54.63 -39.25 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.2 mt -149.03 105.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.567 ' CE2' HD11 ' A' ' 28' ' ' ILE . 8.9 t80 -74.66 137.14 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 32' ' ' LEU . 34.4 m170 -117.09 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.0 p -55.6 156.42 8.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.72 6.03 1.45 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -105.82 -25.78 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -98.18 -31.96 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.66 -24.28 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.1 -2.09 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.9 t -134.98 -47.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CG ' HD12 ' A' ' 32' ' ' LEU . 38.4 m-85 -80.01 -50.01 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.2 -157.4 22.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 173.53 10.85 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.634 2.222 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 69' ' ' MET . 24.6 mm -69.73 157.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' HG21 ' A' ' 68' ' ' ILE . 23.0 mtp -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 58.3 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.816 0.257 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -91.19 159.09 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.43 -49.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.9 t -62.01 171.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.8 -20.55 59.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m -77.86 9.31 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.4 38.65 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -113.35 147.39 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -53.68 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 80.9 t80 -176.99 150.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -124.54 94.57 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.3 p -53.17 -40.8 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -59.2 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -83.02 165.42 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CE1' HG13 ' A' ' 28' ' ' ILE . 1.4 t80 -89.33 146.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 53.0 mtp -141.24 146.96 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -108.5 -178.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.21 115.79 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.27 130.24 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.72 20.87 25.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' ' 64' ' ' PHE . 85.9 mt -121.02 -47.0 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.08 4.69 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 52.28 47.88 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.85 146.15 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 77.8 m95 -99.68 148.31 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 65.7 m-85 -148.16 163.55 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -85.2 122.02 28.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -45.84 -19.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -83.99 -40.83 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -71.51 -31.53 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 43' ' ' GLY . 23.9 m -96.17 -36.66 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 42' ' ' VAL . . . 102.12 38.64 3.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 52' ' ' ILE . 89.4 mt -129.0 116.7 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.32 150.4 27.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 50.0 tt0 -57.38 -34.0 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.94 -24.28 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.79 -32.42 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.56 -52.24 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -45.03 -22.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -25.51 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' ALA . 81.5 mt -75.5 98.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.8 t0 -59.52 -47.7 84.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.04 99.04 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 2.0 t80 -70.24 137.69 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.473 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 23.5 m170 -118.04 111.86 19.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.1 p -55.32 157.14 6.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.71 5.53 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.24 -25.32 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.6 m -98.96 -33.43 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.69 -29.7 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.87 0.62 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -135.01 -46.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CD1' HD12 ' A' ' 32' ' ' LEU . 43.8 m-85 -84.5 -48.3 9.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.56 -152.35 19.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.63 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.1 p -93.93 137.32 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.21 153.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -121.18 145.22 48.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.9 mttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.795 0.248 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.469 HG11 ' CA ' ' A' ' 19' ' ' GLN . 26.7 m -79.28 165.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -129.29 -48.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.5 t -62.23 171.91 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.8 -21.52 55.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.4 p -82.21 15.62 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.4 mpt_? 56.08 52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 82.9 mm-40 -127.69 140.72 38.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.73 -59.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 70.8 t80 -171.61 151.53 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -136.13 123.1 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -74.9 -23.6 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -71.6 -62.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -86.24 120.34 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 5.9 t80 -47.1 144.14 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.478 ' HE3' ' CB ' ' A' ' 36' ' ' TRP . 61.8 mtp -136.57 130.86 33.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -90.75 -179.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -129.03 119.92 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.9 t -75.85 119.9 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.17 30.11 3.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 64' ' ' PHE . 85.9 mt -129.55 -47.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.56 -4.71 14.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 62.75 40.98 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -118.69 132.97 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CB ' ' HE3' ' A' ' 27' ' ' MET . 52.8 m95 -86.65 143.09 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 28.4 m-85 -135.24 152.18 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.7 m80 -76.77 121.04 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.92 -20.46 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 31.4 p -85.03 -42.66 14.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.57 -29.47 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -100.46 -39.74 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.96 37.3 2.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.2 mt -123.06 123.65 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.16 152.24 24.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.27 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.12 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -89.43 -31.28 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.34 -22.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -99.09 -18.88 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.6 mt -78.96 94.28 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.46 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.9 mt -139.56 106.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.569 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -78.93 136.49 37.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.51 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 36.0 m170 -117.99 111.85 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.427 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.8 p -54.84 156.47 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.75 7.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 57' ' ' CYS . 1.2 t70 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.7 m -98.46 -31.24 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.39 -21.76 16.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -2.1 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 t -134.95 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CD2' HD22 ' A' ' 32' ' ' LEU . 46.0 m-85 -82.75 -49.66 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.86 -155.11 20.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.6 Cg_endo -69.77 176.5 6.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.7 p -92.06 139.98 30.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 69' ' ' MET . 15.7 mm -70.5 151.37 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 68' ' ' ILE . 13.6 mtp -123.18 136.5 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.5 mttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.803 0.251 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -99.09 149.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -125.53 -42.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.66 175.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.81 -22.29 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.51 23.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.5 mpt_? 46.32 50.4 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.0 mm-40 -122.33 143.46 39.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -54.58 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -177.74 139.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' HIS . 87.9 m-20 -118.53 94.68 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.2 p -48.99 -43.27 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -50.69 -54.6 21.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' ASN . 19.9 m170 -90.71 154.8 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 27' ' ' MET . 6.9 t80 -79.81 152.52 29.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.486 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 44.7 mtp -136.91 142.23 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.572 ' HB ' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -108.09 174.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -127.11 121.42 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.92 127.45 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.18 22.04 17.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 mt -124.89 -43.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.6 p -113.26 -6.49 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 61.51 47.94 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.7 160.71 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -112.36 136.78 51.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -135.72 172.25 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -97.29 123.95 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -25.73 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 m -85.05 -41.15 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.82 -29.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.0 m -97.55 -41.1 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.82 31.51 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.8 mt -119.29 125.03 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.04 148.52 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -34.01 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.41 -32.76 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -86.09 -31.92 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.91 -56.39 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -48.11 -20.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.68 -24.63 15.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.22 100.33 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -59.94 -48.14 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.72 98.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.5 t80 -70.89 135.09 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 26.6 m170 -115.89 111.5 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.6 p -54.09 157.02 4.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.78 6.12 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -104.79 -27.74 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.21 -30.31 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.89 -25.84 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.91 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.4 -52.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -76.62 -50.39 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.53 -148.49 18.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 175.33 8.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -96.55 141.32 29.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mm -67.55 156.82 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mtp -128.18 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 42.5 mttt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.851 0.271 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.11 157.96 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -133.07 -62.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.5 t -46.98 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.65 -23.21 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -69.84 -5.92 28.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 19.6 mmt180 70.32 39.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.9 mm-40 -118.32 151.04 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 69.7 t80 -176.7 145.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -118.28 91.96 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.49 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.6 p -54.76 -23.53 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -78.03 -40.23 39.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -96.48 158.57 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -77.48 150.74 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.459 ' HE3' ' N ' ' A' ' 37' ' ' PHE . 14.1 mtp -147.84 157.38 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.598 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -128.64 -179.19 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -131.52 128.74 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.3 t -79.21 126.27 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.3 20.95 5.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.1 mt -126.75 -36.36 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 11.0 m -114.98 -13.09 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 65.35 25.0 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 4.8 m-20 -96.16 177.77 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 84.1 m95 -125.42 151.08 46.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 71.4 m-85 -151.07 162.23 41.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -85.03 137.82 32.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.41 -20.18 54.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -85.19 -34.66 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.7 m -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -97.23 -38.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.66 37.34 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' ' 55' ' ' TYR . 95.9 mt -124.39 137.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -99.44 156.4 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 63.8 tt0 -64.3 -39.22 93.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.55 -24.96 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.08 -32.85 16.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.41 -50.48 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -51.43 -23.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -96.43 -16.99 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -83.06 104.69 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.89 -47.85 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -134.96 98.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.596 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.1 t80 -69.61 144.11 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -120.2 109.33 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.483 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.82 157.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.1 Cg_endo -69.66 6.71 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -107.64 -25.34 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 91.7 m -92.82 -34.15 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 45.1 tt0 -57.02 -17.57 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.0 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.95 -50.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -72.81 -49.02 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 126.08 -149.46 17.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 169.91 17.9 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 68' ' ' ILE . 1.9 t -88.68 152.67 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.427 ' N ' ' HG ' ' A' ' 67' ' ' SER . 25.1 mm -75.34 160.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mtp -134.81 134.33 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.8 mttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.785 0.244 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 18' ' ' ARG . 27.7 m -90.71 155.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 2.0 m-85 -133.15 -58.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 10.0 t -53.36 171.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.14 -20.84 61.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.34 6.56 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 10.5 mpt_? 56.22 36.76 28.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.47 ' CA ' HG11 ' A' ' 13' ' ' VAL . 30.8 mm-40 -110.73 150.91 42.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -53.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -175.99 149.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -123.07 122.09 37.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 24' ' ' ASN . 7.2 p -77.9 -40.65 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.466 ' N ' HG12 ' A' ' 23' ' ' VAL . 73.4 m-80 -63.58 -40.3 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -95.56 154.58 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 17.2 t80 -81.77 154.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.567 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 13.5 mmm -143.03 158.83 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -134.09 174.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -124.42 127.68 47.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -77.39 124.04 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 21.08 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -125.86 -38.28 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 13.0 m -112.58 -9.84 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 63.02 26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.62 -173.91 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.548 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 76.4 m95 -130.42 158.78 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 73.9 m-85 -162.03 139.95 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 38.5 m80 -60.7 124.92 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' ILE . . . -52.34 -14.53 2.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 p -88.59 -45.68 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.65 -23.12 65.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.66 -40.62 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.49 24.63 4.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.583 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 82.7 mt -117.92 134.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.84 157.35 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.8 -33.14 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.5 -18.59 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -92.7 -34.76 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.87 -53.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.65 -24.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.65 -24.22 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 83.6 mt -76.51 98.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.0 t0 -61.62 -45.69 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.2 mt -134.92 95.31 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 2.7 t80 -64.88 139.37 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.496 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 7.0 m170 -115.43 109.83 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.88 158.44 0.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.73 7.07 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.36 -24.61 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 80.9 m -94.14 -31.3 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.9 tt0 -59.6 -10.84 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.05 -11.54 55.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.01 -50.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -73.73 -54.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 131.75 -149.74 19.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 169.57 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 p -85.14 139.69 31.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.42 156.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.169 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.0 mtp -126.06 147.79 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 60.7 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.83 0.263 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG13 ' CA ' ' A' ' 19' ' ' GLN . 29.2 m -77.18 156.36 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.547 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 3.9 m-85 -132.28 -49.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 8.3 t -62.82 170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.98 -25.73 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 m -66.79 -8.99 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 8.5 mmt85 73.25 38.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.473 ' CA ' HG13 ' A' ' 13' ' ' VAL . 38.7 mm-40 -115.73 149.32 42.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -53.98 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -176.58 157.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -136.63 104.22 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.15 -27.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -80.06 -38.81 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -94.34 123.01 37.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -48.26 148.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.5 mtp -151.54 149.85 29.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.592 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -123.52 177.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 30.5 tt0 -130.41 132.29 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -75.34 123.07 24.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.62 25.38 3.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD11 ' CG ' ' A' ' 56' ' ' HIS . 66.9 mt -126.18 -46.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.08 -2.69 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 59.84 49.57 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 10.8 m-20 -107.2 -173.71 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.495 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 75.8 m95 -141.34 145.54 35.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 37.7 m-85 -154.73 167.79 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -92.49 135.3 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.37 -20.16 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -85.75 -23.36 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.82 -29.61 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 43' ' ' GLY . 22.6 m -97.48 -35.81 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 108.49 38.92 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 55' ' ' TYR . 91.5 mt -124.92 143.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -112.1 146.4 38.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.34 -40.38 61.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -86.47 -27.62 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.07 -50.47 58.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.08 -17.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -99.02 -18.12 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.9 mt -83.77 98.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.7 t0 -64.39 -48.05 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.77 96.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.592 ' CE2' HD11 ' A' ' 28' ' ' ILE . 8.6 t80 -67.7 142.05 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 32' ' ' LEU . 34.2 m170 -119.01 112.87 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -56.41 156.41 11.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.77 6.73 1.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -106.32 -25.92 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.9 m -96.97 -34.13 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.17 -25.57 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -2.45 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -135.06 -50.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -76.14 -47.41 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.37 -150.09 17.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 54.1 Cg_endo -69.77 173.73 10.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -92.81 144.65 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.06 158.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 mtp -127.73 140.72 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 76.8 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.851 0.271 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG11 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -89.98 138.68 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -115.88 -42.12 3.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.8 t -64.1 175.32 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mt -83.15 -17.18 43.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 20.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.6 mpt_? 48.57 47.19 20.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.3 mm-40 -121.26 147.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.73 -53.34 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t80 -176.65 142.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.702 ' ND2' ' CE1' ' A' ' 38' ' ' HIS . 1.2 m-80 -91.8 141.29 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' ND2' ' A' ' 24' ' ' ASN . 2.1 t -90.24 116.24 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.483 ' ND2' ' CG1' ' A' ' 23' ' ' VAL . 70.3 m-20 72.68 47.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -145.85 131.76 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.01 142.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.0 mtp -158.71 127.07 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.573 HD13 ' CE2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -108.32 175.57 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 7.0 tm-20 -131.53 120.83 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 t -63.36 128.1 34.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 25.0 8.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' A' ' 56' ' ' HIS . 93.2 mt -124.47 -46.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.04 -5.31 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 63.26 49.31 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -117.75 160.13 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m95 -112.76 147.3 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 43.7 m-85 -151.25 160.55 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.702 ' CE1' ' ND2' ' A' ' 22' ' ' ASN . 40.2 m80 -84.0 163.0 20.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.0 -25.12 62.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -85.64 -32.89 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 m -73.51 -37.21 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 4.8 m -97.34 -41.53 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 109.67 40.1 1.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 85.2 mt -126.35 127.11 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -92.88 158.5 15.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -37.26 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.57 -32.97 69.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -85.45 -38.47 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.53 -55.36 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 p -47.8 -23.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.08 -28.51 13.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.3 97.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.1 t0 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -143.69 105.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE2' HD13 ' A' ' 28' ' ' ILE . 10.1 t80 -74.41 135.72 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.505 ' CG ' HD11 ' A' ' 32' ' ' LEU . 30.0 m170 -118.45 107.67 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.37 156.82 2.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.78 7.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -28.56 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.469 ' CB ' HD13 ' A' ' 32' ' ' LEU . 73.7 m -94.21 -33.67 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.86 -20.47 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.43 -4.06 34.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.87 -48.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.449 ' CG ' HD12 ' A' ' 32' ' ' LEU . 28.1 m-85 -75.78 -49.12 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.47 -153.94 20.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.63 12.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -89.61 139.62 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mm -68.98 158.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 21.4 mtp -134.92 136.09 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.453 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 50.6 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.832 0.263 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG12 ' C ' ' A' ' 18' ' ' ARG . 30.4 m -89.76 148.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.06 -32.8 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -74.84 176.59 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -82.71 -28.14 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 p -68.44 -4.93 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.6 mmt180 73.92 44.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.0 mm-40 -118.94 145.95 39.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -54.9 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 72.7 t80 -176.8 168.32 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 8.0 m120 -155.32 106.11 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.28 -29.67 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -71.25 -37.39 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -100.12 132.56 45.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -49.95 155.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.7 mtp -161.17 144.01 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.502 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -120.56 179.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -130.6 130.05 43.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.9 t -75.52 130.96 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.33 26.07 7.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 64' ' ' PHE . 78.1 mt -126.5 -49.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.35 -4.97 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 62.46 44.77 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -111.39 135.9 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -89.94 142.27 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -141.37 170.4 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -94.79 153.97 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 -24.8 76.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -85.09 -30.58 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.822 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.4 m -80.09 -28.45 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 m -104.22 -37.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.97 37.7 2.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 55' ' ' TYR . 92.6 mt -122.58 139.65 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.55 149.12 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -55.94 -43.12 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -64.24 -20.53 66.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -95.36 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.18 96.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.05 -13.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.63 -8.94 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.72 100.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.5 t70 -62.58 -48.79 77.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.0 mt -134.37 98.42 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CE1' HD13 ' A' ' 44' ' ' ILE . 14.9 t80 -69.76 139.88 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -118.34 109.49 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.79 156.07 3.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.74 8.81 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -108.34 -28.32 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' CB ' HD12 ' A' ' 32' ' ' LEU . 81.9 m -94.18 -33.47 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.9 -24.19 22.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.6 -3.13 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.01 -51.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 32' ' ' LEU . 50.0 m-85 -74.7 -46.51 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.23 -150.49 17.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.7 18.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 p -90.79 144.97 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.4 mm -77.43 147.44 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 75.2 mmm -113.72 156.79 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 71.9 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.85 0.271 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.27 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.75 -43.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.0 171.21 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.54 -27.09 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.6 p -70.17 -3.52 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 13.5 mmt180 70.91 43.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 50.7 mm-40 -120.44 149.3 49.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -53.49 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -176.68 153.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HB2' ' NE2' ' A' ' 38' ' ' HIS . 4.4 m-20 -138.6 106.75 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 24' ' ' ASN . 10.3 p -59.9 -30.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.47 ' N ' HG11 ' A' ' 23' ' ' VAL . 22.5 m120 -67.15 -50.6 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -94.58 108.94 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CE2' HG13 ' A' ' 28' ' ' ILE . 13.8 t80 -40.39 156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.476 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 25.7 mtp -140.9 146.33 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -114.42 178.29 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -131.0 121.1 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -71.83 126.3 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.94 24.45 3.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.2 mt -131.21 -36.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 21.1 m -112.36 -12.06 13.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 28.67 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.73 -173.87 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.402 ' C ' ' HE3' ' A' ' 27' ' ' MET . 80.5 m95 -134.5 139.98 45.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' N ' ' HE3' ' A' ' 27' ' ' MET . 13.6 m-85 -144.11 157.26 44.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 42.2 m80 -81.66 134.75 35.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.6 -23.79 29.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -83.18 -35.37 25.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -74.91 -27.45 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 m -102.15 -39.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.91 35.15 2.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 96.3 mt -121.49 118.43 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.0 137.42 38.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -37.37 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.6 -25.79 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -91.41 -27.61 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.73 -43.22 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.18 -13.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.73 -18.03 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 HG12 ' CE ' ' A' ' 69' ' ' MET . 67.4 mt -85.95 98.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -63.39 -43.63 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.93 89.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.589 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 3.7 t80 -62.3 143.04 57.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.5 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 17.7 m170 -120.31 113.74 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -51.12 157.4 1.51 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 52.7 Cg_endo -69.82 8.2 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 57' ' ' CYS . 2.2 t70 -109.77 -24.62 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.47 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.6 m -94.9 -30.52 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 34.5 tt0 -58.56 -19.15 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.64 -5.84 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.33 -51.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -74.51 -49.81 20.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.31 -150.85 18.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 172.35 12.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.3 p -88.44 140.35 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 69' ' ' MET . 16.8 mm -65.66 154.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.4 mmt -115.79 148.02 40.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.456 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 68.4 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.835 0.265 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG11 ' C ' ' A' ' 18' ' ' ARG . 27.2 m -90.18 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.03 -44.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.5 t -61.25 174.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 -14.85 48.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.1 p -84.55 7.82 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.507 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.4 mpt_? 62.61 45.43 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.2 mm-40 -118.81 144.46 35.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -57.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -177.93 144.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -116.69 111.8 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.44 6.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -106.65 -23.39 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.08 176.68 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -84.94 149.98 25.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 37' ' ' PHE . 11.8 mtp -151.62 153.33 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.602 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -125.54 -175.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.9 tt0 -139.65 122.79 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.8 125.73 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.42 24.18 6.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.83 -47.61 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.8 p -115.32 -3.07 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.64 43.51 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -114.4 128.92 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 57.7 m95 -84.58 155.93 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 68.6 m-85 -153.36 172.61 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -98.63 141.89 30.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.2 -30.81 61.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 p -83.06 -22.06 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -86.6 -28.77 23.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 43' ' ' GLY . 16.8 m -108.1 -27.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.486 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 98.1 41.84 3.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 55' ' ' TYR . 78.4 mt -123.59 145.12 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -110.05 153.57 24.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.62 -52.08 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -54.82 -28.15 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.46 -36.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -52.6 -50.88 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -46.9 -22.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -100.34 -21.68 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.87 96.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.475 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.3 t0 -60.67 -42.1 96.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.22 106.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CE2' HD12 ' A' ' 28' ' ' ILE . 8.0 t80 -75.16 135.79 41.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -116.35 108.86 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -53.01 157.01 3.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.77 8.05 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -108.46 -27.24 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -94.53 -33.13 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -56.49 -19.43 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -6.33 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 -48.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -76.39 -49.81 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.76 -152.8 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.06 13.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -87.54 148.6 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.06 156.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.6 mtp -129.66 139.86 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 29.7 mttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.843 0.268 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG13 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -70.08 162.37 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' O ' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -121.53 -40.37 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.4 t -72.58 173.72 8.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.22 -26.19 33.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' C ' ' HG2' ' A' ' 18' ' ' ARG . 3.9 p -67.53 -2.92 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 mmt85 74.97 46.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 72.0 mm-40 -130.94 148.39 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.8 -60.34 0.07 OUTLIER 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 15.6 t80 -176.85 160.51 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 52.9 m-20 -130.78 125.33 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.96 -25.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -92.87 22.1 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -152.89 157.8 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CZ ' HG23 ' A' ' 44' ' ' ILE . 1.3 t80 -74.03 142.76 45.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.465 ' HE3' ' N ' ' A' ' 37' ' ' PHE . 8.1 mtp -155.49 135.19 12.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.599 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -103.4 -173.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 43.2 tt0 -140.92 124.25 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' C ' ' H ' ' A' ' 32' ' ' LEU . 30.0 t -74.27 121.3 21.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 22.11 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' A' ' 56' ' ' HIS . 43.0 mt -128.21 -32.91 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 28.5 m -117.64 -10.06 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 62.94 25.03 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -104.06 149.86 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 64.1 m95 -102.65 150.79 23.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 10.5 m-85 -145.1 165.14 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.56 134.47 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -53.59 -25.51 28.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 p -79.18 -37.24 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.1 m -75.5 -30.54 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 11.0 m -100.56 -48.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 119.01 39.37 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD12 ' CE1' ' A' ' 55' ' ' TYR . 76.1 mt -119.95 147.57 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -116.74 143.86 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 26.7 tt0 -54.27 -27.45 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.98 -27.74 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -93.81 -31.68 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.43 -18.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.73 -13.49 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.484 HG12 ' CE ' ' A' ' 69' ' ' MET . 97.1 mt -81.02 102.4 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.492 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.5 t0 -68.07 -46.12 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.4 mt -135.02 99.25 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CE2' HD11 ' A' ' 28' ' ' ILE . 11.2 t80 -70.23 142.63 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 32' ' ' LEU . 17.4 m170 -121.53 108.69 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.9 p -45.53 157.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 7.24 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 57' ' ' CYS . 6.8 t0 -107.81 -26.69 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' HD12 ' A' ' 32' ' ' LEU . 72.9 m -91.47 -31.93 15.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.02 -16.53 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.84 -4.7 53.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.04 -51.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.07 -49.3 37.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.83 -151.45 18.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 170.55 16.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -82.77 158.49 22.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.6 mm -89.0 153.6 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.484 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.1 mmt -116.78 151.64 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.492 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.4 mttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.798 0.249 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 ' CA ' ' A' ' 19' ' ' GLN . 35.3 m -84.57 154.26 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 7.4 m-85 -129.94 -68.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 22.5 t -43.78 166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -25.98 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 62.9 m -65.16 -13.63 58.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 6.5 mmt85 74.95 41.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.9 mm-40 -116.94 150.98 46.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -56.77 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -176.22 147.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -132.92 86.64 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.23 -24.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.7 144.14 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 9.5 mmm -147.65 148.49 31.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -125.13 -175.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 57.3 tt0 -133.97 137.19 44.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.2 t -82.75 126.65 32.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.68 21.15 5.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 mt -125.57 -36.64 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 4.5 m -115.77 -8.12 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 62.51 24.98 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 40.0 m-20 -98.52 -173.65 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 66.7 m95 -131.72 160.99 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 36' ' ' TRP . 80.4 m-85 -162.52 135.22 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.535 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 35.9 m170 -57.85 135.14 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.554 ' HA3' ' CD1' ' A' ' 26' ' ' PHE . . . -63.0 -16.56 57.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.2 m -87.15 -26.13 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 72.7 m -89.05 -23.51 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' N ' ' A' ' 43' ' ' GLY . 35.2 m -102.14 -28.93 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.472 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 97.14 40.2 3.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 76.7 mt -127.16 128.98 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -95.46 162.23 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 40.2 tt0 -67.6 -36.77 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -62.7 -25.67 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -90.05 -34.95 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.53 14.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.04 -25.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.28 -15.05 22.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -85.16 95.18 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.6 t0 -62.21 -48.06 81.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -135.2 100.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.641 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 18.3 t80 -69.78 143.74 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.56 107.47 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.1 p -46.78 158.62 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.11 -24.59 11.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 97.3 m -92.99 -32.64 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 35.6 tt0 -59.05 -10.79 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.58 59.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.42 -47.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -76.63 -52.28 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 130.08 -150.82 19.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.28 24.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -84.67 140.89 31.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.7 mm -67.98 160.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.6 mtp -127.37 147.89 50.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 75.7 mttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.881 0.284 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.412 HG12 ' CA ' ' A' ' 19' ' ' GLN . 31.6 m -88.24 129.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 1.8 m-85 -103.31 -56.34 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.4 t -47.01 174.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.78 -17.88 46.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.0 p -85.37 12.5 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 2.1 mpt_? 58.82 50.62 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 21.5 mm-40 -118.84 143.3 33.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -57.05 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -177.11 143.22 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -134.27 85.9 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 24' ' ' ASN . 10.9 p -44.32 -45.74 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 23' ' ' VAL . 2.3 m120 -58.87 -31.04 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -99.78 115.05 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -44.65 145.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.5 mtp -147.4 161.73 40.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.77 -179.05 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -131.57 127.12 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 t -75.32 126.5 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.75 24.0 3.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 60' ' ' CYS . 64.4 mt -130.25 -36.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 6.5 m -117.26 -9.29 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 61.46 25.36 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.35 169.95 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.5 m95 -119.56 149.83 41.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -152.5 164.48 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -89.37 144.39 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.82 67.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -82.93 -32.7 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.6 m -74.73 -34.2 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 43' ' ' GLY . 6.3 m -99.49 -43.17 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.17 43.99 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 55' ' ' TYR . 64.7 mt -127.38 130.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 7.9 mm-40 -95.67 160.58 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 2.7 tm-20 -67.41 -39.9 85.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.85 -27.86 65.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 45' ' ' GLU . 17.3 m-20 -88.95 -37.54 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.97 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 p -49.12 -23.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.18 -18.78 18.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.2 mt -79.83 98.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -64.81 -47.36 78.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.1 mt -135.04 97.94 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 28' ' ' ILE . 7.1 t80 -67.85 143.27 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -120.45 112.03 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -49.65 157.8 0.94 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.75 5.79 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.22 -24.55 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.471 ' CB ' HD13 ' A' ' 32' ' ' LEU . 91.6 m -93.38 -32.8 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.72 -10.11 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.97 -7.08 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.9 t -133.97 -47.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.93 -49.04 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.13 -150.54 17.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.34 34.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 p -86.38 147.29 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.97 159.85 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mtp -131.7 138.39 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 37.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.77 0.238 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 HG11 ' C ' ' A' ' 18' ' ' ARG . 35.9 m -84.72 158.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.71 -37.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.04 174.84 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.65 -29.29 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -64.77 -5.97 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.9 mmt180 70.79 41.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 42.2 mm-40 -117.95 148.9 44.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.0 Cg_endo -69.79 -54.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -175.87 140.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -128.82 82.05 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -42.96 -38.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.45 -39.03 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.39 137.51 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 1.8 t80 -57.45 149.45 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.557 ' SD ' ' C ' ' A' ' 37' ' ' PHE . 8.3 mmm -146.6 161.57 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -140.05 178.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -128.13 122.6 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -68.11 127.33 32.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.19 26.66 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 56' ' ' HIS . 62.9 mt -126.29 -49.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.94 -4.52 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 63.2 47.28 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.9 m-20 -113.26 169.07 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.648 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 84.8 m95 -116.66 156.09 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 40.8 m-85 -162.39 135.32 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.523 ' N ' ' SD ' ' A' ' 27' ' ' MET . 47.1 m80 -66.52 136.34 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.62 -25.36 42.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -79.33 -28.76 42.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.43 -31.72 26.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 43' ' ' GLY . 35.4 m -100.06 -29.08 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 98.45 37.59 4.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.534 HD12 ' CE1' ' A' ' 55' ' ' TYR . 97.7 mt -116.89 141.34 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' N ' HG21 ' A' ' 44' ' ' ILE . 13.1 mt-10 -110.16 151.58 27.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 12.0 tt0 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.23 -27.74 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -90.0 -36.69 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . . . -47.47 -55.02 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -49.31 -21.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.38 -28.46 14.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 44' ' ' ILE . 89.4 mt -67.88 96.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.1 t0 -58.75 -44.54 90.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.7 mt -142.28 105.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE2' HD11 ' A' ' 28' ' ' ILE . 6.7 t80 -74.35 136.99 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' CE1' HD13 ' A' ' 32' ' ' LEU . 26.4 m170 -118.61 111.29 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.505 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 15.7 p -54.43 158.06 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.77 10.48 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -109.27 -34.2 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.82 -30.4 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.1 -21.04 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.2 -9.21 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -127.98 -52.09 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -74.03 -54.48 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.99 -151.46 20.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -89.5 136.68 32.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.0 146.95 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 mtp -122.93 134.09 54.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 43.7 mttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.832 0.263 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -86.19 152.44 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.36 -41.39 1.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.78 175.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.28 -22.71 41.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 p -82.78 14.46 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 2.1 mpt_? 56.29 51.28 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.4 mm-40 -120.77 140.8 31.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -56.29 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -177.56 131.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.51 87.81 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.22 -22.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -74.87 -35.79 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -101.05 173.47 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -86.51 144.8 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.1 mtp -147.07 152.97 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.617 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -126.17 -178.28 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 20.7 tt0 -134.51 126.02 28.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 32' ' ' LEU . 28.6 t -74.47 122.04 22.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.84 21.34 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 56' ' ' HIS . 42.7 mt -128.84 -32.38 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 45.7 m -116.29 -12.82 11.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 63.02 27.68 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 3.2 m-20 -96.25 -173.4 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 80.3 m95 -136.73 137.36 39.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -139.13 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -96.61 143.11 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.22 65.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -82.41 -30.85 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -79.33 -29.73 42.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 43' ' ' GLY . 4.9 m -101.91 -41.75 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' N ' HG22 ' A' ' 42' ' ' VAL . . . 113.94 37.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.548 HD12 ' CE1' ' A' ' 55' ' ' TYR . 54.0 mt -122.63 149.3 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -115.2 150.1 36.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 27.6 tt0 -60.68 -36.0 77.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.2 pt-20 -62.19 -32.18 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 48.5 m-80 -90.74 -30.21 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.97 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -52.76 -22.76 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.13 -15.84 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.3 mt -83.36 101.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.4 t70 -69.96 -43.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mt -134.94 92.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.617 ' CE2' ' CD1' ' A' ' 28' ' ' ILE . 7.6 t80 -63.76 144.98 56.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 32' ' ' LEU . 12.9 m170 -121.84 110.12 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.472 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.3 p -46.88 157.43 0.47 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.75 10.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -110.24 -30.18 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' HD13 ' A' ' 32' ' ' LEU . 83.1 m -90.22 -31.51 16.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.12 -23.8 22.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.21 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.03 -49.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -79.25 -47.9 15.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.75 -151.85 17.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.28 12.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 p -82.86 141.83 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 69' ' ' MET . 32.6 mm -68.59 165.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.404 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 mtp -131.43 143.82 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 19.2 mttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.842 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 18' ' ' ARG . 30.3 m -94.73 153.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.95 -38.45 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.28 173.91 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -25.13 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -72.48 -0.1 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 17.0 mmt180 69.33 40.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.6 mm-40 -119.38 148.72 46.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -54.37 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 40.7 t80 -176.9 165.42 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 6.4 m120 -139.57 116.53 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -67.98 -40.99 84.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.471 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.0 m120 -59.88 -54.52 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -84.55 163.42 19.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 7.7 t80 -92.94 153.91 18.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 48.1 mtp -141.46 144.19 34.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.498 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -107.55 175.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -127.43 121.15 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.1 128.21 35.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.19 27.86 6.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.29 -46.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.55 -6.82 13.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 62.48 46.81 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -116.4 142.61 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -95.09 143.78 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -144.75 163.86 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -88.53 129.23 35.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.05 -25.08 9.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -84.3 -33.32 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.92 -29.7 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.65 -35.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.16 32.52 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 97.0 mt -118.43 128.15 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -91.18 137.08 32.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.88 -38.66 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.8 pt-20 -59.95 -29.13 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 18.1 m-80 -86.13 -33.04 20.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.08 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.8 p -50.85 -16.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' C ' ' HE3' ' A' ' 70' ' ' LYS . 28.7 m-20 -105.22 -20.06 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.99 95.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 12.9 t0 -56.52 -45.15 81.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.0 mt -138.87 103.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.459 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 1.9 t80 -73.82 137.65 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 34.7 m170 -118.04 113.79 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.468 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -56.85 157.42 10.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.1 Cg_endo -69.85 11.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.28 -31.33 7.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.4 m -92.01 -32.01 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -54.11 -25.15 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -0.29 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.02 -48.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.94 -48.77 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.76 -150.46 19.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 177.78 5.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -93.98 134.53 36.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 69' ' ' MET . 23.4 mm -63.84 153.4 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' HG21 ' A' ' 68' ' ' ILE . 28.6 mtp -127.67 135.94 50.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 14.7 mttt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.835 0.264 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.467 HG12 ' CA ' ' A' ' 19' ' ' GLN . 27.3 m -86.43 157.13 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -132.71 -35.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.92 -178.75 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.31 -14.53 38.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -86.38 8.89 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.499 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.4 mpt_? 61.49 43.83 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 47.0 mm-40 -119.83 144.36 37.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -56.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.514 ' CD1' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -178.53 116.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 22' ' ' ASN . 1.1 m-20 -106.28 70.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 21' ' ' TYR . 83.4 t -51.16 -32.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -48.0 -21.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -113.49 -81.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 12.7 t80 179.77 157.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.466 ' HE1' ' N ' ' A' ' 37' ' ' PHE . 19.2 mtp -165.62 158.2 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.572 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -134.85 -174.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -136.06 132.6 36.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.74 126.07 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.68 27.96 3.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' A' ' 64' ' ' PHE . 67.2 mt -128.29 -48.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.44 -4.03 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.33 47.05 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.83 154.12 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.3 m95 -109.55 141.79 41.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' N ' ' HE1' ' A' ' 27' ' ' MET . 52.3 m-85 -142.64 174.67 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -101.29 157.84 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.04 -29.13 67.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -84.11 -28.83 27.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.8 -31.06 45.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 2.6 m -106.05 -45.24 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 116.08 42.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 94.9 mt -128.55 120.16 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.86 151.34 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 30.5 tt0 -58.87 -42.37 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.54 -28.17 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -91.61 -26.98 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.83 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.74 -8.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -109.78 -2.55 17.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mt -95.53 93.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.9 t70 -58.9 -39.1 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.8 mt -145.31 105.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.598 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 25.0 t80 -76.8 142.1 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -121.27 108.36 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -51.59 156.51 2.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.74 7.73 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -108.63 -25.02 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.0 -30.75 12.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.74 -26.87 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.3 -5.82 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.1 -51.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CD1' HD11 ' A' ' 32' ' ' LEU . 53.2 m-85 -75.43 -48.37 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.17 -153.24 19.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.2 9.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.13 145.53 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.33 161.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -133.07 137.62 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.2 mttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.798 0.249 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.483 HG13 ' CA ' ' A' ' 19' ' ' GLN . 30.8 m -102.98 157.85 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -134.95 -44.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.54 175.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.46 -27.14 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.7 -2.37 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 15.1 mmt180 69.41 39.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.483 ' CA ' HG13 ' A' ' 13' ' ' VAL . 43.6 mm-40 -117.56 152.42 49.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.81 -56.01 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -178.11 142.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.608 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 5.1 t30 -113.18 160.92 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 24' ' ' ASN . 13.6 p -112.36 -27.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.474 ' N ' HG13 ' A' ' 23' ' ' VAL . 1.6 m120 -78.3 -23.22 47.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.41 112.18 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 28' ' ' ILE . 4.4 t80 -41.09 151.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.564 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 mtp -131.94 137.74 48.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -108.45 173.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -127.39 120.74 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 46.3 t -68.55 128.51 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.06 21.94 28.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -123.39 -43.54 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.64 -4.73 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 62.14 46.08 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.06 177.15 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -128.48 137.9 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.15 163.55 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 51.7 m80 -89.56 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.58 -17.2 40.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 m -89.91 -39.13 13.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.9 m -72.64 -32.25 65.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -94.63 -28.73 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.8 32.19 6.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 52' ' ' ILE . 96.4 mt -118.0 124.69 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.39 151.86 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -40.96 97.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.64 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.38 -29.48 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.75 -52.47 56.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 2.5 p -49.9 -17.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.38 -23.58 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CD1' HG23 ' A' ' 44' ' ' ILE . 70.3 mt -79.3 101.64 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.4 t0 -62.99 -46.21 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 mt -134.35 96.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CB ' HG22 ' A' ' 28' ' ' ILE . 1.1 t80 -67.93 132.91 48.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.412 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 30.1 m170 -111.43 110.83 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.14 156.48 7.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 8.88 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 57' ' ' CYS . 6.5 t0 -109.51 -25.74 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.34 -31.29 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.25 -19.6 14.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.7 -1.73 32.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.98 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -81.55 -49.31 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.31 -151.9 19.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.8 Cg_endo -69.77 172.8 11.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 m -89.2 133.42 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.5 mm -63.48 158.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.1 mtp -124.26 140.33 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 77.6 mttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -167.44 137.83 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -43.39 -50.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 -158.44 10.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 68.49 42.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -75.49 170.37 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.12 -33.16 6.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.9 mmm 60.09 43.5 14.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.19 130.09 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -113.77 138.93 49.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -148.61 119.62 4.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 157.47 60.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -88.55 141.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -117.98 -43.58 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.4 t -59.1 172.44 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.77 -21.26 48.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -85.05 23.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 3.4 mpt_? 47.95 49.32 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 55.3 mm-40 -124.14 143.44 42.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -176.7 155.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' NE2' ' A' ' 38' ' ' HIS . 2.7 m120 -133.6 110.72 10.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 24' ' ' ASN . 84.8 t -61.07 -63.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' VAL . 12.0 m-80 -34.36 -46.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.54 165.19 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 28' ' ' ILE . 3.2 t80 -95.91 148.41 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.6 mtp -131.71 140.18 49.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -104.22 167.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -119.53 120.68 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.85 127.58 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.01 24.7 8.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.28 -47.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -6.08 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 62.87 46.77 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -114.65 147.15 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -98.78 143.05 29.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 78.5 m-85 -144.91 161.92 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 m80 -85.65 127.7 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.98 -26.47 5.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.41 -36.28 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -72.25 -27.64 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.19 -38.09 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.37 32.37 3.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.1 mt -118.92 120.49 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -78.81 136.88 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.75 -39.57 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.54 -24.69 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -93.62 -30.51 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.35 -46.87 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.01 -20.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -96.87 -23.93 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' ALA . 87.1 mt -73.73 99.85 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -62.07 -45.45 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.93 95.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.567 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -67.4 134.75 52.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 32.7 m170 -114.5 112.04 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.454 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.63 156.94 8.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.78 8.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' CYS . 7.5 t0 -109.92 -25.55 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.6 m -98.39 -31.38 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.03 -22.86 17.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.86 -1.26 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.94 -44.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -84.16 -48.74 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.29 -156.07 21.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.26 9.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.9 p -84.37 134.63 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.1 mm -67.44 157.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.5 mtp -125.85 141.42 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 58.4 mttt -59.13 -176.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' TRP . 43.7 t30 -95.92 -44.72 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 93.2 m95 37.41 48.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.94 82.53 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -121.14 81.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.65 159.05 31.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 138.37 37.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.0 p -49.68 140.06 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.9 p -112.2 42.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.509 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -108.44 -48.34 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 45.97 42.26 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.2 168.81 13.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -103.66 85.63 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -161.64 172.29 16.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -123.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' ALA . 21.8 mtm 58.77 53.28 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.1 138.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 11' ' ' VAL . 45.9 mt -106.7 115.45 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG11 ' CB ' ' A' ' 20' ' ' PRO . 2.2 p -34.05 133.69 0.37 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.116 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 162.3 42.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.64 2.227 . . . . 0.0 112.332 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' C ' ' A' ' 18' ' ' ARG . 27.2 m -91.61 145.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -121.31 -37.41 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.82 176.28 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -84.11 -24.31 30.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 p -73.27 0.04 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 14.2 mmt180 70.59 40.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 39.9 mm-40 -117.36 144.8 34.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.483 ' CB ' HG11 ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.75 -54.46 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -176.96 156.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.6 117.7 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -71.8 -44.45 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.465 ' N ' HG12 ' A' ' 23' ' ' VAL . 3.8 m-80 -65.58 -37.56 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.68 138.98 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.21 150.77 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mtp -150.28 153.34 35.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -129.87 176.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 50.3 tt0 -128.53 128.62 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 t -73.1 122.38 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.38 3.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' PHE . 93.9 mt -128.68 -45.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.84 -6.43 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.5 51.56 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 8.4 m-20 -112.04 -174.06 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -138.16 136.89 37.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -142.95 172.25 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -99.46 156.53 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -70.76 -30.87 67.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -80.05 -23.23 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 43' ' ' GLY . 13.8 m -101.99 -29.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 97.99 39.3 3.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.553 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 95.2 mt -122.96 150.53 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 44' ' ' ILE . 22.5 mt-10 -118.9 143.86 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.88 -39.18 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.46 -29.15 69.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -89.03 -34.04 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.21 -53.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -50.36 -18.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -101.0 -26.86 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.4 mt -70.12 93.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -54.63 -39.25 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.2 mt -149.03 105.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.567 ' CE2' HD11 ' A' ' 28' ' ' ILE . 8.9 t80 -74.66 137.14 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 32' ' ' LEU . 34.4 m170 -117.09 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.0 p -55.6 156.42 8.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.72 6.03 1.45 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -105.82 -25.78 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -98.18 -31.96 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.66 -24.28 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.1 -2.09 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.9 t -134.98 -47.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CG ' HD12 ' A' ' 32' ' ' LEU . 38.4 m-85 -80.01 -50.01 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.2 -157.4 22.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 173.53 10.85 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.634 2.222 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 69' ' ' MET . 24.6 mm -69.73 157.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' HG21 ' A' ' 68' ' ' ILE . 23.0 mtp -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 58.3 mttt -57.29 172.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -111.27 58.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.511 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 77.2 m95 -61.67 -60.85 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -130.54 111.93 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 p -71.71 -48.07 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.34 -173.08 21.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -125.85 -63.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.5 p -174.59 135.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.475 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -150.16 110.8 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.54 157.31 42.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.93 105.23 2.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -110.95 -58.58 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -161.0 131.42 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.91 90.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.9 mtp -92.13 129.64 38.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.91 148.02 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.6 mt -92.62 113.76 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.18 121.16 3.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.2 35.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -91.19 159.09 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.43 -49.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.9 t -62.01 171.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.8 -20.55 59.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m -77.86 9.31 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.4 38.65 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -113.35 147.39 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -53.68 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 80.9 t80 -176.99 150.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -124.54 94.57 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.3 p -53.17 -40.8 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -59.2 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -83.02 165.42 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CE1' HG13 ' A' ' 28' ' ' ILE . 1.4 t80 -89.33 146.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 53.0 mtp -141.24 146.96 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.578 HG13 ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -108.5 -178.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -134.21 115.79 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.27 130.24 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.72 20.87 25.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' ' 64' ' ' PHE . 85.9 mt -121.02 -47.0 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.08 4.69 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 52.28 47.88 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.85 146.15 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 77.8 m95 -99.68 148.31 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 65.7 m-85 -148.16 163.55 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -85.2 122.02 28.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -45.84 -19.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -83.99 -40.83 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -71.51 -31.53 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 43' ' ' GLY . 23.9 m -96.17 -36.66 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 42' ' ' VAL . . . 102.12 38.64 3.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 52' ' ' ILE . 89.4 mt -129.0 116.7 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.32 150.4 27.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 50.0 tt0 -57.38 -34.0 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.94 -24.28 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.79 -32.42 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.56 -52.24 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -45.03 -22.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -25.51 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' ALA . 81.5 mt -75.5 98.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.8 t0 -59.52 -47.7 84.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.04 99.04 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 2.0 t80 -70.24 137.69 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.473 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 23.5 m170 -118.04 111.86 19.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.1 p -55.32 157.14 6.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.71 5.53 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.24 -25.32 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.6 m -98.96 -33.43 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.69 -29.7 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.87 0.62 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -135.01 -46.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CD1' HD12 ' A' ' 32' ' ' LEU . 43.8 m-85 -84.5 -48.3 9.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.56 -152.35 19.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.63 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.1 p -93.93 137.32 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.21 153.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -121.18 145.22 48.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HD2' ' NE1' ' A' ' 72' ' ' TRP . 46.9 mttt -65.97 176.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -120.49 37.48 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.468 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 97.7 m95 -37.9 157.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -93.34 97.29 10.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -100.4 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.8 -131.91 11.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 159.17 54.4 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.6 p -78.52 130.27 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.2 p -127.31 -27.64 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.456 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -108.89 147.05 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -55.37 -57.12 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 123.95 34.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -94.16 95.71 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -57.68 167.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.04 -124.27 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.2 mtp -48.1 140.32 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.48 162.04 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.2 171.35 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.95 129.18 17.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 111.119 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.78 156.81 62.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.469 HG11 ' CA ' ' A' ' 19' ' ' GLN . 26.7 m -79.28 165.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -129.29 -48.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.5 t -62.23 171.91 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.8 -21.52 55.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.4 p -82.21 15.62 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.4 mpt_? 56.08 52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 82.9 mm-40 -127.69 140.72 38.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.73 -59.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 70.8 t80 -171.61 151.53 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -136.13 123.1 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -74.9 -23.6 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -71.6 -62.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -86.24 120.34 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 5.9 t80 -47.1 144.14 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.478 ' HE3' ' CB ' ' A' ' 36' ' ' TRP . 61.8 mtp -136.57 130.86 33.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -90.75 -179.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -129.03 119.92 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.9 t -75.85 119.9 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.17 30.11 3.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 64' ' ' PHE . 85.9 mt -129.55 -47.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.56 -4.71 14.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 62.75 40.98 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -118.69 132.97 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CB ' ' HE3' ' A' ' 27' ' ' MET . 52.8 m95 -86.65 143.09 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 28.4 m-85 -135.24 152.18 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.7 m80 -76.77 121.04 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.92 -20.46 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 31.4 p -85.03 -42.66 14.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.57 -29.47 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -100.46 -39.74 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.96 37.3 2.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.2 mt -123.06 123.65 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.16 152.24 24.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.27 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.12 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -89.43 -31.28 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.34 -22.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -99.09 -18.88 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.6 mt -78.96 94.28 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.46 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.9 mt -139.56 106.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.569 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -78.93 136.49 37.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.51 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 36.0 m170 -117.99 111.85 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.427 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.8 p -54.84 156.47 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.75 7.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 57' ' ' CYS . 1.2 t70 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.7 m -98.46 -31.24 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.39 -21.76 16.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -2.1 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 t -134.95 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CD2' HD22 ' A' ' 32' ' ' LEU . 46.0 m-85 -82.75 -49.66 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.86 -155.11 20.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.6 Cg_endo -69.77 176.5 6.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.7 p -92.06 139.98 30.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 69' ' ' MET . 15.7 mm -70.5 151.37 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 68' ' ' ILE . 13.6 mtp -123.18 136.5 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.462 ' HD2' ' NE1' ' A' ' 72' ' ' TRP . 44.5 mttt -56.48 178.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 72' ' ' TRP . 7.6 t-20 -121.04 -24.62 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.462 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 96.0 m95 34.24 48.8 0.28 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -61.09 111.95 1.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.7 m -51.7 167.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.33 152.19 6.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.3 p -39.88 -44.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t -161.47 142.76 11.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.487 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -160.26 168.22 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -158.07 147.04 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.46 -110.14 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m 51.02 42.47 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -174.76 143.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.74 -160.42 15.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mmt -121.31 -55.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.76 0.24 12.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' VAL . 3.9 mp -81.6 95.34 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.0 p -33.86 133.68 0.36 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' N ' HG21 ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.74 166.66 26.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -99.09 149.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -125.53 -42.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.66 175.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.81 -22.29 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.51 23.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.5 mpt_? 46.32 50.4 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.0 mm-40 -122.33 143.46 39.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -54.58 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -177.74 139.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' HIS . 87.9 m-20 -118.53 94.68 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.2 p -48.99 -43.27 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -50.69 -54.6 21.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' ASN . 19.9 m170 -90.71 154.8 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 27' ' ' MET . 6.9 t80 -79.81 152.52 29.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.486 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 44.7 mtp -136.91 142.23 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.572 ' HB ' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -108.09 174.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -127.11 121.42 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.92 127.45 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.18 22.04 17.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 mt -124.89 -43.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.6 p -113.26 -6.49 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 61.51 47.94 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.7 160.71 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -112.36 136.78 51.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -135.72 172.25 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -97.29 123.95 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -25.73 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 m -85.05 -41.15 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.82 -29.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.0 m -97.55 -41.1 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.82 31.51 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.8 mt -119.29 125.03 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.04 148.52 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -34.01 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.41 -32.76 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -86.09 -31.92 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.91 -56.39 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -48.11 -20.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.68 -24.63 15.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.22 100.33 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -59.94 -48.14 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.72 98.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.5 t80 -70.89 135.09 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.434 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 26.6 m170 -115.89 111.5 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.6 p -54.09 157.02 4.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.78 6.12 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -104.79 -27.74 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.21 -30.31 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.89 -25.84 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.91 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.4 -52.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -76.62 -50.39 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.53 -148.49 18.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 175.33 8.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -96.55 141.32 29.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mm -67.55 156.82 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.8 mtp -128.18 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 42.5 mttt -61.52 169.73 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.13 51.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.433 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 66.8 m95 -49.15 179.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -98.93 107.94 20.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.1 m -146.12 165.97 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.69 -158.18 10.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -40.39 5.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p 42.25 42.04 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 p 38.78 42.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -123.81 81.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -171.82 136.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.93 61.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -121.91 43.3 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -101.92 124.99 48.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 159.37 -95.11 0.14 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.4 ptt? 34.7 43.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.315 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.17 135.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.8 109.99 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG12 ' CB ' ' A' ' 20' ' ' PRO . 3.2 p -144.9 131.95 10.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.66 26.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.11 157.96 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -133.07 -62.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.5 t -46.98 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.65 -23.21 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -69.84 -5.92 28.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 19.6 mmt180 70.32 39.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.9 mm-40 -118.32 151.04 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.471 ' CB ' HG12 ' A' ' 11' ' ' VAL . 53.6 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 69.7 t80 -176.7 145.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -118.28 91.96 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.49 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.6 p -54.76 -23.53 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -78.03 -40.23 39.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -96.48 158.57 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -77.48 150.74 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.459 ' HE3' ' N ' ' A' ' 37' ' ' PHE . 14.1 mtp -147.84 157.38 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.598 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -128.64 -179.19 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -131.52 128.74 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.3 t -79.21 126.27 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.3 20.95 5.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.1 mt -126.75 -36.36 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 m -114.98 -13.09 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 65.35 25.0 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 4.8 m-20 -96.16 177.77 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 84.1 m95 -125.42 151.08 46.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 71.4 m-85 -151.07 162.23 41.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -85.03 137.82 32.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.41 -20.18 54.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -85.19 -34.66 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.7 m -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -97.23 -38.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.66 37.34 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' ' 55' ' ' TYR . 95.9 mt -124.39 137.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -99.44 156.4 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 63.8 tt0 -64.3 -39.22 93.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.55 -24.96 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.08 -32.85 16.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.41 -50.48 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -51.43 -23.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -96.43 -16.99 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -83.06 104.69 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.89 -47.85 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.9 mt -134.96 98.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.596 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.1 t80 -69.61 144.11 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -120.2 109.33 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.483 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.82 157.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.1 Cg_endo -69.66 6.71 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -107.64 -25.34 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.7 m -92.82 -34.15 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 45.1 tt0 -57.02 -17.57 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.0 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.95 -50.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -72.81 -49.02 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 126.08 -149.46 17.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 169.91 17.9 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 68' ' ' ILE . 1.9 t -88.68 152.67 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.427 ' N ' ' HG ' ' A' ' 67' ' ' SER . 25.1 mm -75.34 160.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.7 mtp -134.81 134.33 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.513 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 52.8 mttt -50.95 176.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -111.49 68.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.513 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 90.5 m95 -79.81 44.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' TRP . 29.8 m-70 36.21 43.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.4 t -106.44 156.43 18.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 129.07 9.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.31 35.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.8 p -160.61 172.74 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -101.44 143.48 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.483 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 t -131.75 147.24 52.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -131.84 -47.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.87 140.88 2.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -123.67 121.8 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -100.01 125.81 46.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 150.18 5.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 mtp -120.6 92.95 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.12 169.12 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pp -140.85 136.72 32.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.441 HG11 ' CB ' ' A' ' 20' ' ' PRO . 2.5 p -138.41 126.61 13.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 111.157 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 54.0 Cg_endo -69.71 166.49 27.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.282 . . . . 0.0 112.359 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 18' ' ' ARG . 27.7 m -90.71 155.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 2.0 m-85 -133.15 -58.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 10.0 t -53.36 171.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.14 -20.84 61.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.34 6.56 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 10.5 mpt_? 56.22 36.76 28.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.47 ' CA ' HG11 ' A' ' 13' ' ' VAL . 30.8 mm-40 -110.73 150.91 42.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' CB ' HG11 ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.69 -53.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -175.99 149.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -123.07 122.09 37.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 24' ' ' ASN . 7.2 p -77.9 -40.65 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.466 ' N ' HG12 ' A' ' 23' ' ' VAL . 73.4 m-80 -63.58 -40.3 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -95.56 154.58 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 17.2 t80 -81.77 154.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.567 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 13.5 mmm -143.03 158.83 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -134.09 174.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -124.42 127.68 47.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -77.39 124.04 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.44 21.08 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -125.86 -38.28 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.58 -9.84 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 63.02 26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.62 -173.91 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.548 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 76.4 m95 -130.42 158.78 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 73.9 m-85 -162.03 139.95 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 38.5 m80 -60.7 124.92 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 44' ' ' ILE . . . -52.34 -14.53 2.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 p -88.59 -45.68 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.65 -23.12 65.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.66 -40.62 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.49 24.63 4.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.583 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 82.7 mt -117.92 134.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.84 157.35 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.8 -33.14 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.5 -18.59 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -92.7 -34.76 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.87 -53.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.65 -24.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.65 -24.22 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 83.6 mt -76.51 98.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.0 t0 -61.62 -45.69 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.2 mt -134.92 95.31 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 2.7 t80 -64.88 139.37 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.496 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 7.0 m170 -115.43 109.83 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.88 158.44 0.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.73 7.07 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.36 -24.61 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 80.9 m -94.14 -31.3 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.9 tt0 -59.6 -10.84 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.05 -11.54 55.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.01 -50.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -73.73 -54.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 131.75 -149.74 19.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 169.57 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 p -85.14 139.69 31.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.42 156.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.169 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.0 mtp -126.06 147.79 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 60.7 mttt -64.4 162.41 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -97.74 46.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 99.3 m95 -48.81 103.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -99.28 88.58 3.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -102.5 -56.08 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.46 -124.11 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.52 68.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.296 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' SER . 64.0 p -82.76 40.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 21.3 t 34.66 41.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -134.4 172.63 12.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -128.05 132.59 49.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.1 94.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -158.14 179.4 9.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t 62.45 47.89 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.64 -132.56 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -108.72 177.27 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.54 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 11' ' ' VAL . 5.3 mp -134.62 117.05 15.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG12 ' CB ' ' A' ' 20' ' ' PRO . 1.3 p -33.69 128.5 0.42 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.186 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.3 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG13 ' CA ' ' A' ' 19' ' ' GLN . 29.2 m -77.18 156.36 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.547 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 3.9 m-85 -132.28 -49.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 8.3 t -62.82 170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.98 -25.73 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 m -66.79 -8.99 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 8.5 mmt85 73.25 38.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.473 ' CA ' HG13 ' A' ' 13' ' ' VAL . 38.7 mm-40 -115.73 149.32 42.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' CB ' HG12 ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.77 -53.98 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -176.58 157.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -136.63 104.22 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.15 -27.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -80.06 -38.81 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -94.34 123.01 37.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -48.26 148.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.5 mtp -151.54 149.85 29.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.592 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -123.52 177.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 30.5 tt0 -130.41 132.29 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -75.34 123.07 24.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.62 25.38 3.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD11 ' CG ' ' A' ' 56' ' ' HIS . 66.9 mt -126.18 -46.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.08 -2.69 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 59.84 49.57 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 10.8 m-20 -107.2 -173.71 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.495 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 75.8 m95 -141.34 145.54 35.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 37.7 m-85 -154.73 167.79 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -92.49 135.3 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.37 -20.16 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -85.75 -23.36 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.82 -29.61 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 43' ' ' GLY . 22.6 m -97.48 -35.81 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 108.49 38.92 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 55' ' ' TYR . 91.5 mt -124.92 143.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -112.1 146.4 38.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.34 -40.38 61.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -86.47 -27.62 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.07 -50.47 58.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.08 -17.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -99.02 -18.12 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.9 mt -83.77 98.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.7 t0 -64.39 -48.05 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.77 96.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.592 ' CE2' HD11 ' A' ' 28' ' ' ILE . 8.6 t80 -67.7 142.05 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 32' ' ' LEU . 34.2 m170 -119.01 112.87 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -56.41 156.41 11.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.77 6.73 1.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -106.32 -25.92 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.9 m -96.97 -34.13 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.17 -25.57 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -2.45 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -135.06 -50.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -76.14 -47.41 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.37 -150.09 17.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 54.1 Cg_endo -69.77 173.73 10.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -92.81 144.65 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -71.06 158.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 mtp -127.73 140.72 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 76.8 mttt -55.43 170.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -104.94 30.65 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.428 ' CD2' ' O ' ' A' ' 72' ' ' TRP . 55.7 p-90 -157.46 122.29 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.53 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 45.2 t-80 -103.68 164.65 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 44.8 t -159.07 117.83 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.53 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 67.33 138.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 -53.54 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -152.6 135.3 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.479 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -131.84 -50.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.06 160.9 22.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.01 100.27 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -153.71 166.25 33.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -165.99 168.77 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.15 -113.88 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' ALA . 6.7 ttt -89.21 168.21 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.04 130.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 11' ' ' VAL . 22.5 mt -90.14 122.4 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -32.56 132.17 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.1 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.289 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG11 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -89.98 138.68 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -115.88 -42.12 3.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.8 t -64.1 175.32 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mt -83.15 -17.18 43.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 20.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.6 mpt_? 48.57 47.19 20.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.3 mm-40 -121.26 147.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' CB ' HG11 ' A' ' 11' ' ' VAL . 53.9 Cg_endo -69.73 -53.34 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t80 -176.65 142.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.702 ' ND2' ' CE1' ' A' ' 38' ' ' HIS . 1.2 m-80 -91.8 141.29 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' ND2' ' A' ' 24' ' ' ASN . 2.1 t -90.24 116.24 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.483 ' ND2' ' CG1' ' A' ' 23' ' ' VAL . 70.3 m-20 72.68 47.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -145.85 131.76 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.01 142.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.0 mtp -158.71 127.07 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.573 HD13 ' CE2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -108.32 175.57 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 7.0 tm-20 -131.53 120.83 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 t -63.36 128.1 34.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 25.0 8.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' A' ' 56' ' ' HIS . 93.2 mt -124.47 -46.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.04 -5.31 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 63.26 49.31 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -117.75 160.13 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m95 -112.76 147.3 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 43.7 m-85 -151.25 160.55 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.702 ' CE1' ' ND2' ' A' ' 22' ' ' ASN . 40.2 m80 -84.0 163.0 20.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.0 -25.12 62.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -85.64 -32.89 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 m -73.51 -37.21 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 4.8 m -97.34 -41.53 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 109.67 40.1 1.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 85.2 mt -126.35 127.11 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -92.88 158.5 15.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -37.26 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.57 -32.97 69.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -85.45 -38.47 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.53 -55.36 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 p -47.8 -23.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.08 -28.51 13.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.3 97.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.1 t0 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -143.69 105.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE2' HD13 ' A' ' 28' ' ' ILE . 10.1 t80 -74.41 135.72 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.505 ' CG ' HD11 ' A' ' 32' ' ' LEU . 30.0 m170 -118.45 107.67 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.37 156.82 2.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.78 7.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -28.56 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' CB ' HD13 ' A' ' 32' ' ' LEU . 73.7 m -94.21 -33.67 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.86 -20.47 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.43 -4.06 34.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.87 -48.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.449 ' CG ' HD12 ' A' ' 32' ' ' LEU . 28.1 m-85 -75.78 -49.12 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.47 -153.94 20.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.63 12.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -89.61 139.62 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mm -68.98 158.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 21.4 mtp -134.92 136.09 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 50.6 mttt -57.03 145.69 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' TRP . 0.2 OUTLIER -101.68 47.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 70.6 m95 -37.49 156.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -55.36 130.85 44.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 t -47.6 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.72 -154.79 18.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 149.68 67.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.274 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -90.76 44.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.9 p -109.51 -42.55 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.527 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -173.45 162.19 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -141.08 144.45 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.37 167.08 29.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -111.36 145.34 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -124.85 86.21 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.04 -172.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mmt -119.61 80.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.08 134.74 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 mt -89.25 97.42 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' A' ' 20' ' ' PRO . 2.2 p -43.9 123.69 4.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.567 0.699 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 161.86 44.33 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG12 ' C ' ' A' ' 18' ' ' ARG . 30.4 m -89.76 148.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.06 -32.8 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -74.84 176.59 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -82.71 -28.14 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 p -68.44 -4.93 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.6 mmt180 73.92 44.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.0 mm-40 -118.94 145.95 39.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.458 ' CB ' HG13 ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.78 -54.9 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 72.7 t80 -176.8 168.32 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 8.0 m120 -155.32 106.11 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.28 -29.67 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -71.25 -37.39 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -100.12 132.56 45.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.502 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -49.95 155.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.7 mtp -161.17 144.01 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.502 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -120.56 179.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -130.6 130.05 43.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.9 t -75.52 130.96 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.33 26.07 7.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 64' ' ' PHE . 78.1 mt -126.5 -49.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.35 -4.97 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 62.46 44.77 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -111.39 135.9 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -89.94 142.27 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -141.37 170.4 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -94.79 153.97 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 -24.8 76.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -85.09 -30.58 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.822 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.4 m -80.09 -28.45 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 m -104.22 -37.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.97 37.7 2.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 55' ' ' TYR . 92.6 mt -122.58 139.65 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.55 149.12 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -55.94 -43.12 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -64.24 -20.53 66.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -95.36 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.18 96.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.05 -13.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.63 -8.94 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.5 mt -91.72 100.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.5 t70 -62.58 -48.79 77.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.0 mt -134.37 98.42 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CE1' HD13 ' A' ' 44' ' ' ILE . 14.9 t80 -69.76 139.88 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -118.34 109.49 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.79 156.07 3.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.74 8.81 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -108.34 -28.32 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' CB ' HD12 ' A' ' 32' ' ' LEU . 81.9 m -94.18 -33.47 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.9 -24.19 22.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.6 -3.13 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.01 -51.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 32' ' ' LEU . 50.0 m-85 -74.7 -46.51 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.23 -150.49 17.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.7 18.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 p -90.79 144.97 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.4 mm -77.43 147.44 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 75.2 mmm -113.72 156.79 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 71.9 mttt -69.31 -177.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -132.19 41.83 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -157.88 139.18 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -127.93 123.79 35.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 t -73.28 -71.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.98 72.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.95 61.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.5 m -56.65 95.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.5 p -113.02 166.04 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.499 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -163.66 145.57 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -163.73 165.32 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.08 113.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -85.48 169.2 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -75.18 141.59 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -78.82 -37.77 25.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.2 ttp -34.51 108.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.9 140.72 47.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.2 mt -103.42 105.01 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 20' ' ' PRO . 2.4 p -53.56 133.31 54.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 166.67 26.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.27 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.75 -43.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.0 171.21 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.54 -27.09 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.6 p -70.17 -3.52 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 13.5 mmt180 70.91 43.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 50.7 mm-40 -120.44 149.3 49.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' A' ' 11' ' ' VAL . 53.9 Cg_endo -69.78 -53.49 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -176.68 153.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HB2' ' NE2' ' A' ' 38' ' ' HIS . 4.4 m-20 -138.6 106.75 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 24' ' ' ASN . 10.3 p -59.9 -30.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.47 ' N ' HG11 ' A' ' 23' ' ' VAL . 22.5 m120 -67.15 -50.6 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -94.58 108.94 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CE2' HG13 ' A' ' 28' ' ' ILE . 13.8 t80 -40.39 156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.476 ' O ' ' CE1' ' A' ' 26' ' ' PHE . 25.7 mtp -140.9 146.33 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -114.42 178.29 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -131.0 121.1 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -71.83 126.3 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.94 24.45 3.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.2 mt -131.21 -36.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.1 m -112.36 -12.06 13.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 28.67 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.73 -173.87 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.402 ' C ' ' HE3' ' A' ' 27' ' ' MET . 80.5 m95 -134.5 139.98 45.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' N ' ' HE3' ' A' ' 27' ' ' MET . 13.6 m-85 -144.11 157.26 44.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 42.2 m80 -81.66 134.75 35.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.6 -23.79 29.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -83.18 -35.37 25.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -74.91 -27.45 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 m -102.15 -39.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.91 35.15 2.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 96.3 mt -121.49 118.43 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.0 137.42 38.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -37.37 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.6 -25.79 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -91.41 -27.61 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.73 -43.22 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.18 -13.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.73 -18.03 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 HG12 ' CE ' ' A' ' 69' ' ' MET . 67.4 mt -85.95 98.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -63.39 -43.63 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.93 89.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.589 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 3.7 t80 -62.3 143.04 57.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.5 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 17.7 m170 -120.31 113.74 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -51.12 157.4 1.51 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 52.7 Cg_endo -69.82 8.2 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 57' ' ' CYS . 2.2 t70 -109.77 -24.62 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.47 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.6 m -94.9 -30.52 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 34.5 tt0 -58.56 -19.15 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.64 -5.84 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.33 -51.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -74.51 -49.81 20.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.31 -150.85 18.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 172.35 12.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.3 p -88.44 140.35 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 69' ' ' MET . 16.8 mm -65.66 154.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.4 mmt -115.79 148.02 40.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 68.4 mttt -68.08 163.85 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -117.6 52.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 42.8 p-90 -163.56 136.89 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.7 m -88.62 -40.12 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.26 -79.96 1.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 111.45 2.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -105.34 -43.42 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -108.46 134.05 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.79 139.74 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -84.81 -61.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.54 100.81 2.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -121.16 162.36 20.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -151.32 125.98 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.9 165.14 33.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ttt -114.54 1.42 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.33 0.21 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mp -87.24 94.03 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.47 132.59 76.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.603 0.716 . . . . 0.0 111.175 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 158.95 55.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG11 ' C ' ' A' ' 18' ' ' ARG . 27.2 m -90.18 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.03 -44.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.5 t -61.25 174.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 -14.85 48.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 6.1 p -84.55 7.82 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.507 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.4 mpt_? 62.61 45.43 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.2 mm-40 -118.81 144.46 35.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -57.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -177.93 144.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -116.69 111.8 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.44 6.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -106.65 -23.39 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.08 176.68 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -84.94 149.98 25.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 37' ' ' PHE . 11.8 mtp -151.62 153.33 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.602 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -125.54 -175.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.9 tt0 -139.65 122.79 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.8 125.73 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.42 24.18 6.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.83 -47.61 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.8 p -115.32 -3.07 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.64 43.51 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -114.4 128.92 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 57.7 m95 -84.58 155.93 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 68.6 m-85 -153.36 172.61 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -98.63 141.89 30.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.2 -30.81 61.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 p -83.06 -22.06 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -86.6 -28.77 23.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 43' ' ' GLY . 16.8 m -108.1 -27.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.486 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 98.1 41.84 3.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 55' ' ' TYR . 78.4 mt -123.59 145.12 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -110.05 153.57 24.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.62 -52.08 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -54.82 -28.15 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.46 -36.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -52.6 -50.88 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -46.9 -22.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -100.34 -21.68 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.87 96.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.3 t0 -60.67 -42.1 96.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.22 106.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CE2' HD12 ' A' ' 28' ' ' ILE . 8.0 t80 -75.16 135.79 41.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -116.35 108.86 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -53.01 157.01 3.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.77 8.05 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -108.46 -27.24 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -94.53 -33.13 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -56.49 -19.43 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -6.33 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 -48.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -76.39 -49.81 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.76 -152.8 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.06 13.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -87.54 148.6 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mm -77.06 156.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.6 mtp -129.66 139.86 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 29.7 mttt -58.6 167.83 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' TRP . 0.6 OUTLIER -124.21 -16.33 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.468 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 64.1 m95 32.93 48.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -38.68 103.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 m -120.61 -45.4 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.54 153.9 10.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.4 13.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 t -94.42 107.95 19.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 p -52.39 -54.5 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.464 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -54.52 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t 65.13 44.4 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 176.52 16.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -171.25 160.94 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.806 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -111.31 154.23 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.04 -84.56 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.44 160.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.54 135.05 27.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 p -88.1 130.28 46.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.157 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.76 139.71 40.89 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG13 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -70.08 162.37 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' O ' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -121.53 -40.37 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.4 t -72.58 173.72 8.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.22 -26.19 33.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' C ' ' HG2' ' A' ' 18' ' ' ARG . 3.9 p -67.53 -2.92 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 mmt85 74.97 46.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 72.0 mm-40 -130.94 148.39 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.8 -60.34 0.07 OUTLIER 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 15.6 t80 -176.85 160.51 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 52.9 m-20 -130.78 125.33 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.96 -25.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -92.87 22.1 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -152.89 157.8 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CZ ' HG23 ' A' ' 44' ' ' ILE . 1.3 t80 -74.03 142.76 45.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.465 ' HE3' ' N ' ' A' ' 37' ' ' PHE . 8.1 mtp -155.49 135.19 12.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.599 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -103.4 -173.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 43.2 tt0 -140.92 124.25 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' C ' ' H ' ' A' ' 32' ' ' LEU . 30.0 t -74.27 121.3 21.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 22.11 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' A' ' 56' ' ' HIS . 43.0 mt -128.21 -32.91 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -117.64 -10.06 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 62.94 25.03 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -104.06 149.86 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 64.1 m95 -102.65 150.79 23.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 10.5 m-85 -145.1 165.14 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.56 134.47 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -53.59 -25.51 28.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 p -79.18 -37.24 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.1 m -75.5 -30.54 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 11.0 m -100.56 -48.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 119.01 39.37 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD12 ' CE1' ' A' ' 55' ' ' TYR . 76.1 mt -119.95 147.57 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -116.74 143.86 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 26.7 tt0 -54.27 -27.45 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.98 -27.74 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -93.81 -31.68 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.43 -18.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.73 -13.49 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.484 HG12 ' CE ' ' A' ' 69' ' ' MET . 97.1 mt -81.02 102.4 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.492 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.5 t0 -68.07 -46.12 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.4 mt -135.02 99.25 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CE2' HD11 ' A' ' 28' ' ' ILE . 11.2 t80 -70.23 142.63 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 32' ' ' LEU . 17.4 m170 -121.53 108.69 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.9 p -45.53 157.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.478 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 7.24 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 57' ' ' CYS . 6.8 t0 -107.81 -26.69 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.49 ' CB ' HD12 ' A' ' 32' ' ' LEU . 72.9 m -91.47 -31.93 15.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.02 -16.53 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.84 -4.7 53.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.04 -51.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.07 -49.3 37.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.83 -151.45 18.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 170.55 16.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -82.77 158.49 22.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.6 mm -89.0 153.6 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.484 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.1 mmt -116.78 151.64 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.492 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.4 mttt -66.76 165.95 14.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -104.31 44.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 99.3 m95 -49.19 112.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -47.86 -60.49 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -85.31 42.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 76' ' ' PRO . . . -44.53 106.46 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 75' ' ' GLY . 53.5 Cg_endo -69.79 -44.91 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -68.08 144.94 54.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.2 m -121.56 -53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -90.34 89.55 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.808 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -76.96 86.16 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.83 -173.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -173.23 142.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -47.23 128.62 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.19 116.43 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -135.64 168.72 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.67 149.25 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -113.89 142.87 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 20' ' ' PRO . 2.9 p -128.46 118.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 111.157 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.6 Cg_endo -69.76 162.15 43.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 HG13 ' CA ' ' A' ' 19' ' ' GLN . 35.3 m -84.57 154.26 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 7.4 m-85 -129.94 -68.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 22.5 t -43.78 166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -25.98 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.16 -13.63 58.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 6.5 mmt85 74.95 41.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.9 mm-40 -116.94 150.98 46.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' CB ' HG12 ' A' ' 11' ' ' VAL . 53.8 Cg_endo -69.74 -56.77 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -176.22 147.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -132.92 86.64 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.23 -24.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.7 144.14 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 9.5 mmm -147.65 148.49 31.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.7 OUTLIER -125.13 -175.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 57.3 tt0 -133.97 137.19 44.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.2 t -82.75 126.65 32.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.68 21.15 5.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 mt -125.57 -36.64 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 m -115.77 -8.12 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 62.51 24.98 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 40.0 m-20 -98.52 -173.65 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 66.7 m95 -131.72 160.99 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 36' ' ' TRP . 80.4 m-85 -162.52 135.22 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.535 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 35.9 m170 -57.85 135.14 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.554 ' HA3' ' CD1' ' A' ' 26' ' ' PHE . . . -63.0 -16.56 57.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.2 m -87.15 -26.13 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.7 m -89.05 -23.51 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' N ' ' A' ' 43' ' ' GLY . 35.2 m -102.14 -28.93 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.472 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 97.14 40.2 3.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 76.7 mt -127.16 128.98 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -95.46 162.23 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 40.2 tt0 -67.6 -36.77 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -62.7 -25.67 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -90.05 -34.95 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.53 14.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.04 -25.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.28 -15.05 22.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -85.16 95.18 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.6 t0 -62.21 -48.06 81.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -135.2 100.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.641 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 18.3 t80 -69.78 143.74 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.56 107.47 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.1 p -46.78 158.62 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.11 -24.59 11.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.3 m -92.99 -32.64 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 35.6 tt0 -59.05 -10.79 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.58 59.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.42 -47.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -76.63 -52.28 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 130.08 -150.82 19.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.28 24.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -84.67 140.89 31.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.7 mm -67.98 160.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.6 mtp -127.37 147.89 50.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 75.7 mttt -62.78 -178.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -125.15 39.04 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -158.15 149.91 21.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.12 169.17 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -147.67 163.8 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.25 106.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 167.25 24.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.5 p -114.14 37.98 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -72.45 132.02 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -81.09 102.97 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -79.85 111.23 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.32 91.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -97.13 -58.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -172.61 42.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.77 170.08 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.731 0.3 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.16 147.32 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.19 127.35 34.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 20' ' ' PRO . 8.5 t -58.82 134.43 86.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 0.0 111.151 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD2' ' CG1' ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.79 130.03 18.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG12 ' CA ' ' A' ' 19' ' ' GLN . 31.6 m -88.24 129.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 1.8 m-85 -103.31 -56.34 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.4 t -47.01 174.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.78 -17.88 46.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.0 p -85.37 12.5 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 2.1 mpt_? 58.82 50.62 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 21.5 mm-40 -118.84 143.3 33.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HB3' ' HB ' ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.7 -57.05 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -177.11 143.22 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -134.27 85.9 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 24' ' ' ASN . 10.9 p -44.32 -45.74 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 23' ' ' VAL . 2.3 m120 -58.87 -31.04 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -99.78 115.05 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -44.65 145.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.5 mtp -147.4 161.73 40.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.77 -179.05 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -131.57 127.12 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 t -75.32 126.5 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.75 24.0 3.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 60' ' ' CYS . 64.4 mt -130.25 -36.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.5 m -117.26 -9.29 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 61.46 25.36 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -93.35 169.95 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.5 m95 -119.56 149.83 41.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -152.5 164.48 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -89.37 144.39 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.82 67.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -82.93 -32.7 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.6 m -74.73 -34.2 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 43' ' ' GLY . 6.3 m -99.49 -43.17 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.17 43.99 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 55' ' ' TYR . 64.7 mt -127.38 130.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 7.9 mm-40 -95.67 160.58 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 2.7 tm-20 -67.41 -39.9 85.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.85 -27.86 65.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 45' ' ' GLU . 17.3 m-20 -88.95 -37.54 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.97 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 p -49.12 -23.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.18 -18.78 18.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 91.2 mt -79.83 98.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -64.81 -47.36 78.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.1 mt -135.04 97.94 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 28' ' ' ILE . 7.1 t80 -67.85 143.27 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -120.45 112.03 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -49.65 157.8 0.94 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.75 5.79 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.22 -24.55 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.471 ' CB ' HD13 ' A' ' 32' ' ' LEU . 91.6 m -93.38 -32.8 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.72 -10.11 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.97 -7.08 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.9 t -133.97 -47.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.93 -49.04 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.13 -150.54 17.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.34 34.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 p -86.38 147.29 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.97 159.85 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 mtp -131.7 138.39 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 37.5 mttt -59.97 147.04 40.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' HIS . 3.3 m120 -107.93 46.63 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.456 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 68.1 m95 -37.83 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASN . 34.3 m170 57.81 43.6 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' HIS . 85.4 p 36.25 44.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.08 -76.36 0.76 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -43.36 115.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -84.35 -46.71 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.482 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -142.89 157.89 44.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -165.84 127.04 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.63 118.89 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -112.93 173.67 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -166.21 161.42 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 120.82 -40.62 2.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 35.81 41.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 128.82 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.14 128.7 36.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.419 HG12 ' CB ' ' A' ' 20' ' ' PRO . 2.7 p -150.41 119.83 3.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 160.56 49.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 HG11 ' C ' ' A' ' 18' ' ' ARG . 35.9 m -84.72 158.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.71 -37.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.04 174.84 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.65 -29.29 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -64.77 -5.97 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.9 mmt180 70.79 41.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 42.2 mm-40 -117.95 148.9 44.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' CB ' HG12 ' A' ' 11' ' ' VAL . 54.0 Cg_endo -69.79 -54.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -175.87 140.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -128.82 82.05 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -42.96 -38.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.45 -39.03 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.39 137.51 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 1.8 t80 -57.45 149.45 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.557 ' SD ' ' C ' ' A' ' 37' ' ' PHE . 8.3 mmm -146.6 161.57 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -140.05 178.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -128.13 122.6 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -68.11 127.33 32.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.19 26.66 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 56' ' ' HIS . 62.9 mt -126.29 -49.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.94 -4.52 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 63.2 47.28 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.9 m-20 -113.26 169.07 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.648 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 84.8 m95 -116.66 156.09 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 40.8 m-85 -162.39 135.32 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.523 ' N ' ' SD ' ' A' ' 27' ' ' MET . 47.1 m80 -66.52 136.34 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.62 -25.36 42.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -79.33 -28.76 42.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.43 -31.72 26.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 43' ' ' GLY . 35.4 m -100.06 -29.08 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.479 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 98.45 37.59 4.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.534 HD12 ' CE1' ' A' ' 55' ' ' TYR . 97.7 mt -116.89 141.34 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' N ' HG21 ' A' ' 44' ' ' ILE . 13.1 mt-10 -110.16 151.58 27.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 12.0 tt0 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.23 -27.74 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -90.0 -36.69 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . . . -47.47 -55.02 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -49.31 -21.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.38 -28.46 14.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 44' ' ' ILE . 89.4 mt -67.88 96.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.1 t0 -58.75 -44.54 90.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.7 mt -142.28 105.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE2' HD11 ' A' ' 28' ' ' ILE . 6.7 t80 -74.35 136.99 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' CE1' HD13 ' A' ' 32' ' ' LEU . 26.4 m170 -118.61 111.29 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.505 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 15.7 p -54.43 158.06 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.77 10.48 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -109.27 -34.2 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.82 -30.4 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.1 -21.04 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.2 -9.21 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -127.98 -52.09 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -74.03 -54.48 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.99 -151.46 20.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -89.5 136.68 32.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.0 146.95 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 mtp -122.93 134.09 54.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 43.7 mttt -57.04 173.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.55 63.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.457 ' CG ' ' N ' ' A' ' 74' ' ' SER . 41.1 t-80 -150.56 167.36 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 12.0 m -37.26 -49.7 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.18 124.14 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.46 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -75.48 102.08 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -85.13 -60.11 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.496 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -172.23 151.81 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m 62.25 41.79 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.09 176.81 47.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -138.41 147.94 43.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -126.36 167.17 15.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.97 -148.53 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpp -105.21 115.15 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.51 156.28 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -126.9 113.37 16.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -41.61 124.28 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.96 64.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.9 m -86.19 152.44 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.36 -41.39 1.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.78 175.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.28 -22.71 41.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 p -82.78 14.46 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 2.1 mpt_? 56.29 51.28 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.4 mm-40 -120.77 140.8 31.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -56.29 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -177.56 131.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.51 87.81 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.22 -22.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -74.87 -35.79 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -101.05 173.47 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -86.51 144.8 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.1 mtp -147.07 152.97 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.617 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -126.17 -178.28 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 20.7 tt0 -134.51 126.02 28.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 32' ' ' LEU . 28.6 t -74.47 122.04 22.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.84 21.34 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 56' ' ' HIS . 42.7 mt -128.84 -32.38 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.7 m -116.29 -12.82 11.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 63.02 27.68 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 3.2 m-20 -96.25 -173.4 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 80.3 m95 -136.73 137.36 39.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -139.13 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -96.61 143.11 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.22 65.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -82.41 -30.85 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -79.33 -29.73 42.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 43' ' ' GLY . 4.9 m -101.91 -41.75 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' N ' HG22 ' A' ' 42' ' ' VAL . . . 113.94 37.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.548 HD12 ' CE1' ' A' ' 55' ' ' TYR . 54.0 mt -122.63 149.3 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -115.2 150.1 36.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 27.6 tt0 -60.68 -36.0 77.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.2 pt-20 -62.19 -32.18 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 48.5 m-80 -90.74 -30.21 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.97 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -52.76 -22.76 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HA ' ' NE1' ' A' ' 72' ' ' TRP . 0.8 OUTLIER -96.13 -15.84 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 93.3 mt -83.36 101.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.4 t70 -69.96 -43.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.1 mt -134.94 92.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.617 ' CE2' ' CD1' ' A' ' 28' ' ' ILE . 7.6 t80 -63.76 144.98 56.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 32' ' ' LEU . 12.9 m170 -121.84 110.12 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.472 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.3 p -46.88 157.43 0.47 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.75 10.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -110.24 -30.18 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' HD13 ' A' ' 32' ' ' LEU . 83.1 m -90.22 -31.51 16.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.12 -23.8 22.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.21 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.03 -49.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -79.25 -47.9 15.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.75 -151.85 17.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.28 12.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 p -82.86 141.83 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 69' ' ' MET . 32.6 mm -68.59 165.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.404 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 mtp -131.43 143.82 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HD2' ' CE2' ' A' ' 72' ' ' TRP . 19.2 mttt -64.97 -14.2 59.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.41 47.85 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.491 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 69.6 m95 -53.24 121.4 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -111.98 42.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.0 t -128.47 78.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.28 136.27 1.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.83 33.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -103.16 88.66 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 79' ' ' GLY . 35.4 p -112.97 85.18 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 78' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -151.37 169.55 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.869 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -99.2 174.06 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.69 -178.41 17.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -115.56 140.72 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -147.58 163.54 36.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.93 54.22 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.2 mmm -116.5 153.85 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.01 127.56 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -73.02 139.44 46.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -109.26 129.47 23.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.163 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.43 21.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 HG11 ' C ' ' A' ' 18' ' ' ARG . 30.3 m -94.73 153.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.95 -38.45 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.28 173.91 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -25.13 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -72.48 -0.1 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 17.0 mmt180 69.33 40.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.6 mm-40 -119.38 148.72 46.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -54.37 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 40.7 t80 -176.9 165.42 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.515 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 6.4 m120 -139.57 116.53 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -67.98 -40.99 84.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.471 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.0 m120 -59.88 -54.52 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -84.55 163.42 19.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 7.7 t80 -92.94 153.91 18.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 48.1 mtp -141.46 144.19 34.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.498 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -107.55 175.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -127.43 121.15 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.1 128.21 35.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.19 27.86 6.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.29 -46.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.55 -6.82 13.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 62.48 46.81 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -116.4 142.61 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -95.09 143.78 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -144.75 163.86 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -88.53 129.23 35.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.05 -25.08 9.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -84.3 -33.32 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.92 -29.7 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -98.65 -35.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.16 32.52 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 97.0 mt -118.43 128.15 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -91.18 137.08 32.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.88 -38.66 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.8 pt-20 -59.95 -29.13 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 18.1 m-80 -86.13 -33.04 20.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.08 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.8 p -50.85 -16.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' C ' ' HE3' ' A' ' 70' ' ' LYS . 28.7 m-20 -105.22 -20.06 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.99 95.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 12.9 t0 -56.52 -45.15 81.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.0 mt -138.87 103.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.459 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 1.9 t80 -73.82 137.65 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 34.7 m170 -118.04 113.79 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.468 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -56.85 157.42 10.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.1 Cg_endo -69.85 11.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.28 -31.33 7.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.4 m -92.01 -32.01 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -54.11 -25.15 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -0.29 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.02 -48.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.94 -48.77 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.76 -150.46 19.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 177.78 5.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -93.98 134.53 36.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 69' ' ' MET . 23.4 mm -63.84 153.4 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' HG21 ' A' ' 68' ' ' ILE . 28.6 mtp -127.67 135.94 50.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 72' ' ' TRP . 14.7 mttt -66.86 157.43 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.57 52.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.496 ' CD1' ' HB3' ' A' ' 70' ' ' LYS . 51.4 p-90 -135.02 -33.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.458 ' N ' ' CE3' ' A' ' 72' ' ' TRP . 7.4 t-160 -48.28 171.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.426 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 40.3 m -93.19 42.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.52 138.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.8 Cg_endo -69.78 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.346 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' PRO . 35.2 m -34.38 134.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -121.98 -61.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p 45.32 42.06 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -69.15 169.19 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.89 -134.06 7.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -163.64 162.97 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -96.83 147.06 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.94 161.16 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' ALA . 7.7 ttt -135.76 141.53 44.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -35.51 128.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -123.68 135.54 53.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.66 137.02 70.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 111.145 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG12 ' CA ' ' A' ' 19' ' ' GLN . 27.3 m -86.43 157.13 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -132.71 -35.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.92 -178.75 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.31 -14.53 38.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -86.38 8.89 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.499 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.4 mpt_? 61.49 43.83 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 47.0 mm-40 -119.83 144.36 37.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -56.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.514 ' CD1' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -178.53 116.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.1 m-20 -106.28 70.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 21' ' ' TYR . 83.4 t -51.16 -32.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -48.0 -21.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -113.49 -81.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 12.7 t80 179.77 157.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.466 ' HE1' ' N ' ' A' ' 37' ' ' PHE . 19.2 mtp -165.62 158.2 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.572 HD11 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -134.85 -174.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -136.06 132.6 36.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.74 126.07 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.68 27.96 3.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' A' ' 64' ' ' PHE . 67.2 mt -128.29 -48.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.44 -4.03 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.33 47.05 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.83 154.12 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.3 m95 -109.55 141.79 41.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' N ' ' HE1' ' A' ' 27' ' ' MET . 52.3 m-85 -142.64 174.67 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -101.29 157.84 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.04 -29.13 67.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -84.11 -28.83 27.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.8 -31.06 45.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 2.6 m -106.05 -45.24 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 116.08 42.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 94.9 mt -128.55 120.16 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.86 151.34 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 30.5 tt0 -58.87 -42.37 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.54 -28.17 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -91.61 -26.98 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.83 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.74 -8.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -109.78 -2.55 17.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mt -95.53 93.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.9 t70 -58.9 -39.1 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.8 mt -145.31 105.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.598 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 25.0 t80 -76.8 142.1 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -121.27 108.36 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -51.59 156.51 2.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.74 7.73 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -108.63 -25.02 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.0 -30.75 12.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.74 -26.87 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.3 -5.82 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.1 -51.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CD1' HD11 ' A' ' 32' ' ' LEU . 53.2 m-85 -75.43 -48.37 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.17 -153.24 19.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.2 9.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.13 145.53 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mm -78.33 161.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -133.07 137.62 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.2 mttt -57.22 176.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' HB3' ' CA ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -134.03 63.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -61.91 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 74' ' ' SER . 4.7 p80 -131.27 -53.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 12.6 p -41.0 -52.75 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' CA ' ' HB3' ' A' ' 71' ' ' ASN . . . 95.69 -146.44 18.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 84.69 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.9 p -148.87 161.14 42.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 m -101.92 112.68 25.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.492 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 1' ' ' GLY . 90.2 p 32.68 45.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -129.42 143.61 50.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.28 135.22 2.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 p -151.23 148.51 28.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -116.55 -48.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.83 61.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -129.36 176.13 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.733 0.301 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.63 132.9 54.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CG ' ' O ' ' A' ' 10' ' ' LEU . 1.5 pp -118.66 116.18 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.482 HG11 ' CB ' ' A' ' 20' ' ' PRO . 3.6 p -61.07 131.39 91.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.67 7.8 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG13 ' CA ' ' A' ' 19' ' ' GLN . 30.8 m -102.98 157.85 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -134.95 -44.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.54 175.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.46 -27.14 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.7 -2.37 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 15.1 mmt180 69.41 39.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.483 ' CA ' HG13 ' A' ' 13' ' ' VAL . 43.6 mm-40 -117.56 152.42 49.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' CB ' HG11 ' A' ' 11' ' ' VAL . 53.3 Cg_endo -69.81 -56.01 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -178.11 142.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.608 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 5.1 t30 -113.18 160.92 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 24' ' ' ASN . 13.6 p -112.36 -27.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.474 ' N ' HG13 ' A' ' 23' ' ' VAL . 1.6 m120 -78.3 -23.22 47.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.41 112.18 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 28' ' ' ILE . 4.4 t80 -41.09 151.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.564 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 mtp -131.94 137.74 48.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -108.45 173.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -127.39 120.74 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 46.3 t -68.55 128.51 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.06 21.94 28.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -123.39 -43.54 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.64 -4.73 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 62.14 46.08 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.06 177.15 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -128.48 137.9 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.15 163.55 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 51.7 m80 -89.56 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.58 -17.2 40.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 m -89.91 -39.13 13.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.9 m -72.64 -32.25 65.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -94.63 -28.73 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.8 32.19 6.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 52' ' ' ILE . 96.4 mt -118.0 124.69 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.39 151.86 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -40.96 97.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.64 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.38 -29.48 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.75 -52.47 56.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 2.5 p -49.9 -17.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.38 -23.58 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CD1' HG23 ' A' ' 44' ' ' ILE . 70.3 mt -79.3 101.64 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.4 t0 -62.99 -46.21 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.3 mt -134.35 96.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CB ' HG22 ' A' ' 28' ' ' ILE . 1.1 t80 -67.93 132.91 48.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.412 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 30.1 m170 -111.43 110.83 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.14 156.48 7.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 8.88 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 57' ' ' CYS . 6.5 t0 -109.51 -25.74 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.34 -31.29 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.25 -19.6 14.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.7 -1.73 32.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.98 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -81.55 -49.31 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.31 -151.9 19.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.8 Cg_endo -69.77 172.8 11.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 m -89.2 133.42 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.5 mm -63.48 158.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.1 mtp -124.26 140.33 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 77.6 mttt -59.73 172.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -134.32 50.58 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.434 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 48.2 p-90 -156.25 154.64 31.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -158.35 107.48 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -85.77 -37.01 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.71 140.71 15.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 82.75 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 t -84.99 78.85 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.8 p -90.31 164.66 14.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.485 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.806 0.252 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.6 m -88.55 141.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -117.98 -43.58 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.4 t -59.1 172.44 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.77 -21.26 48.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -85.05 23.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' HG11 ' A' ' 13' ' ' VAL . 3.4 mpt_? 47.95 49.32 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -124.14 143.44 42.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -176.7 155.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' NE2' ' A' ' 38' ' ' HIS . 2.7 m120 -133.6 110.72 10.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 24' ' ' ASN . 84.8 t -61.07 -63.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' VAL . 11.4 m120 -34.36 -46.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.54 165.19 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 28' ' ' ILE . 3.2 t80 -95.91 148.41 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 37.6 mtp -131.71 140.18 49.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.22 167.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -119.53 120.68 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.85 127.58 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.01 24.7 8.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.28 -47.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -6.08 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 62.87 46.77 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -114.65 147.15 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -98.78 143.05 29.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 78.5 m-85 -144.91 161.92 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 m80 -85.65 127.7 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -48.98 -26.47 5.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.41 -36.28 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -72.25 -27.64 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG11 ' OH ' ' A' ' 55' ' ' TYR . 28.1 m -100.19 -38.09 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.37 32.37 3.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.1 mt -118.92 120.49 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -78.81 136.88 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.75 -39.57 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.54 -24.69 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -93.62 -30.51 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.35 -46.87 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.01 -20.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -96.87 -23.93 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' ALA . 87.1 mt -73.73 99.85 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.466 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -62.07 -45.45 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.2 mt -134.93 95.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -67.4 134.75 52.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 32.7 m170 -114.5 112.04 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.63 156.94 8.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.78 8.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -109.92 -25.55 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.6 m -98.39 -31.38 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.03 -22.86 17.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.86 -1.26 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.94 -44.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -84.16 -48.74 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.29 -156.07 21.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.26 9.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.9 p -84.37 134.63 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 69' ' ' MET . 22.1 mm -67.44 157.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.5 mtp -125.85 141.42 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.466 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 58.4 mttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.863 0.276 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -91.61 145.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -121.31 -37.41 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.82 176.28 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -84.11 -24.31 30.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 2.4 p -73.27 0.04 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 70.59 40.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 12.9 mm100 -117.36 144.8 34.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.75 -54.46 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -176.96 156.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.6 117.7 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -71.8 -44.45 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' N ' HG13 ' A' ' 23' ' ' VAL . 3.8 m-80 -65.58 -37.56 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.68 138.98 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.21 150.77 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mtp -150.28 153.34 35.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.679 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -129.87 176.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 50.3 tt0 -128.53 128.62 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 t -73.1 122.38 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.439 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -82.15 27.38 3.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 64' ' ' PHE . 93.9 mt -128.68 -45.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.84 -6.43 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.5 51.56 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 8.4 m-20 -112.04 -174.06 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -138.16 136.89 37.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -142.95 172.25 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.763 ' O ' HG22 ' A' ' 42' ' ' VAL . 39.8 m80 -99.46 156.53 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -70.76 -30.87 67.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -80.05 -23.23 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 38' ' ' HIS . 13.8 m -101.99 -29.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 97.99 39.3 3.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.553 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 95.2 mt -122.96 150.53 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -118.9 143.86 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.88 -39.18 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.46 -29.15 69.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -89.03 -34.04 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -48.21 -53.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -50.36 -18.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -101.0 -26.86 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 49' ' ' ALA . 79.4 mt -70.12 93.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -54.63 -39.25 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.439 HG23 ' HA3' ' A' ' 31' ' ' GLY . 24.2 mt -149.03 105.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.679 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.9 t80 -74.66 137.14 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -117.09 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.0 p -55.6 156.42 8.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.72 6.03 1.45 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -105.82 -25.78 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -98.18 -31.96 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.66 -24.28 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.1 -2.09 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.9 t -134.98 -47.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CG ' HD13 ' A' ' 32' ' ' LEU . 38.4 m-85 -80.01 -50.01 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.2 -157.4 22.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 173.53 10.85 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.634 2.222 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' MET . 24.6 mm -69.73 157.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 68' ' ' ILE . 23.0 mtp -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 58.3 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.816 0.257 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.0 m -91.19 159.09 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.43 -49.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.9 t -62.01 171.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.8 -20.55 59.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m -77.86 9.31 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' O ' HG11 ' A' ' 13' ' ' VAL . 3.3 mpt_? 56.4 38.65 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -113.35 147.39 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.8 Cg_endo -69.76 -53.68 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.461 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 80.9 t80 -176.99 150.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -124.54 94.57 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.3 p -53.17 -40.8 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.7 m120 -59.2 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -83.02 165.42 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HG13 ' A' ' 28' ' ' ILE . 1.4 t80 -89.33 146.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.513 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 53.0 mtp -141.24 146.96 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.5 -178.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.694 ' H ' HG22 ' A' ' 28' ' ' ILE . 20.8 tt0 -134.21 115.79 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.27 130.24 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.72 20.87 25.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 64' ' ' PHE . 85.9 mt -121.02 -47.0 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.08 4.69 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 52.28 47.88 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.85 146.15 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 77.8 m95 -99.68 148.31 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 65.7 m-85 -148.16 163.55 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -85.2 122.02 28.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -45.84 -19.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -83.99 -40.83 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -71.51 -31.53 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG11 ' OH ' ' A' ' 55' ' ' TYR . 23.9 m -96.17 -36.66 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.12 38.64 3.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 89.4 mt -129.0 116.7 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.32 150.4 27.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 50.0 tt0 -57.38 -34.0 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.94 -24.28 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.79 -32.42 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.56 -52.24 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -45.03 -22.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -25.51 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' ALA . 81.5 mt -75.5 98.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.8 t0 -59.52 -47.7 84.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.04 99.04 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.626 ' OH ' HG11 ' A' ' 42' ' ' VAL . 2.0 t80 -70.24 137.69 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.473 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 23.5 m170 -118.04 111.86 19.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.473 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.1 p -55.32 157.14 6.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.71 5.53 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.24 -25.32 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.437 ' CB ' HD12 ' A' ' 32' ' ' LEU . 67.6 m -98.96 -33.43 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 7.0 tt0 -52.69 -29.7 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.87 0.62 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -135.01 -46.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 32' ' ' LEU . 43.8 m-85 -84.5 -48.3 9.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.56 -152.35 19.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.63 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.1 p -93.93 137.32 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.21 153.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -121.18 145.22 48.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.9 mttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.795 0.248 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' C ' ' A' ' 18' ' ' ARG . 26.7 m -79.28 165.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -129.29 -48.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.5 t -62.23 171.91 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.8 -21.52 55.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.4 p -82.21 15.62 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.561 ' C ' HG11 ' A' ' 13' ' ' VAL . 1.4 mpt_? 56.08 52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 82.9 mm-40 -127.69 140.72 38.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.73 -59.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -171.61 151.53 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -136.13 123.1 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -74.9 -23.6 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -71.6 -62.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -86.24 120.34 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 5.9 t80 -47.1 144.14 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.8 mtp -136.57 130.86 33.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -90.75 -179.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 28' ' ' ILE . 24.1 tt0 -129.03 119.92 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 40.9 t -75.85 119.9 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.17 30.11 3.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -129.55 -47.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.56 -4.71 14.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 62.75 40.98 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -118.69 132.97 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' ILE . 52.8 m95 -86.65 143.09 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 28' ' ' ILE . 28.4 m-85 -135.24 152.18 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.7 m80 -76.77 121.04 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.92 -20.46 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 31.4 p -85.03 -42.66 14.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.57 -29.47 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.51 HG11 ' OH ' ' A' ' 55' ' ' TYR . 20.9 m -100.46 -39.74 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 105.96 37.3 2.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.2 mt -123.06 123.65 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.16 152.24 24.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.27 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 50' ' ' VAL . 8.5 pt-20 -65.12 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -89.43 -31.28 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 47' ' ' GLU . 11.6 p -51.34 -22.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -99.09 -18.88 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.6 mt -78.96 94.28 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' SER . 37.9 mt -139.56 106.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -78.93 136.49 37.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.51 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 36.0 m170 -117.99 111.85 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.8 p -54.84 156.47 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.75 7.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.7 m -98.46 -31.24 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.39 -21.76 16.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -2.1 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 t -134.95 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -82.75 -49.66 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.86 -155.11 20.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.6 Cg_endo -69.77 176.5 6.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' ILE . 99.7 p -92.06 139.98 30.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 mm -70.5 151.37 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 mtp -123.18 136.5 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.5 mttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.803 0.251 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 34.2 m -99.09 149.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -125.53 -42.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.66 175.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.81 -22.29 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.51 23.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 46.32 50.4 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -122.33 143.46 39.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.77 -54.58 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -177.74 139.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' HIS . 87.9 m-20 -118.53 94.68 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 24' ' ' ASN . 8.2 p -48.99 -43.27 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.457 ' N ' HG13 ' A' ' 23' ' ' VAL . 11.5 m-80 -50.69 -54.6 21.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' ASN . 1.4 m-70 -90.71 154.8 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' HG13 ' A' ' 28' ' ' ILE . 6.9 t80 -79.81 152.52 29.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.486 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 44.7 mtp -136.91 142.23 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.09 174.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' H ' HG22 ' A' ' 28' ' ' ILE . 55.3 tt0 -127.11 121.42 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.92 127.45 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.18 22.04 17.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' CE1' ' A' ' 56' ' ' HIS . 58.8 mt -124.89 -43.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.6 p -113.26 -6.49 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 61.51 47.94 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.7 160.71 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -112.36 136.78 51.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -135.72 172.25 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -97.29 123.95 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.46 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -45.83 -25.73 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 m -85.05 -41.15 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.82 -29.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.0 m -97.55 -41.1 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 110.82 31.51 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.8 mt -119.29 125.03 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.04 148.52 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -34.01 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.41 -32.76 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -86.09 -31.92 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.91 -56.39 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -48.11 -20.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.68 -24.63 15.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.22 100.33 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -59.94 -48.14 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.72 98.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.5 t80 -70.89 135.09 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.538 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.6 m170 -115.89 111.5 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.6 p -54.09 157.02 4.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.78 6.12 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -104.79 -27.74 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.21 -30.31 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 15.7 tt0 -55.89 -25.84 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.91 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.4 -52.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -76.62 -50.39 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 129.53 -148.49 18.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.84 175.33 8.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -96.55 141.32 29.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 69' ' ' MET . 22.3 mm -67.55 156.82 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 68' ' ' ILE . 24.8 mtp -128.18 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 42.5 mttt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.851 0.271 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.6 m -92.11 157.96 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -133.07 -62.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.5 t -46.98 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.65 -23.21 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -69.84 -5.92 28.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.532 ' O ' HG11 ' A' ' 13' ' ' VAL . 19.6 mmt180 70.32 39.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -118.32 151.04 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 69.7 t80 -176.7 145.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -118.28 91.96 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.6 p -54.76 -23.53 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -78.03 -40.23 39.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -96.48 158.57 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -77.48 150.74 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 14.1 mtp -147.84 157.38 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.872 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -128.64 -179.19 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -131.52 128.74 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.3 t -79.21 126.27 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.3 20.95 5.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.477 HD12 ' CB ' ' A' ' 60' ' ' CYS . 73.1 mt -126.75 -36.36 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 11.0 m -114.98 -13.09 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 65.35 25.0 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 4.8 m-20 -96.16 177.77 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 84.1 m95 -125.42 151.08 46.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 71.4 m-85 -151.07 162.23 41.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.9 m80 -85.03 137.82 32.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.41 -20.18 54.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -85.19 -34.66 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.7 m -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.5 m -97.23 -38.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 107.66 37.34 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 95.9 mt -124.39 137.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -99.44 156.4 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 63.8 tt0 -64.3 -39.22 93.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.55 -24.96 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.08 -32.85 16.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.41 -50.48 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -51.43 -23.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -96.43 -16.99 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -83.06 104.69 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.1 t70 -69.89 -47.85 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.441 HG23 ' HA3' ' A' ' 31' ' ' GLY . 19.9 mt -134.96 98.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.1 t80 -69.61 144.11 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -120.2 109.33 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.82 157.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.1 Cg_endo -69.66 6.71 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -107.64 -25.34 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.477 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.7 m -92.82 -34.15 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 45.1 tt0 -57.02 -17.57 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.0 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.95 -50.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -72.81 -49.02 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 126.08 -149.46 17.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.84 169.91 17.9 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.309 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.68 152.67 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 69' ' ' MET . 25.1 mm -75.34 160.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.477 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.7 mtp -134.81 134.33 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 52.8 mttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.785 0.244 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.7 m -90.71 155.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 2.0 m-85 -133.15 -58.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 10.0 t -53.36 171.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.14 -20.84 61.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.34 6.56 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.799 ' O ' HG11 ' A' ' 13' ' ' VAL . 10.5 mpt_? 56.22 36.76 28.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.458 ' C ' HG12 ' A' ' 13' ' ' VAL . 12.3 mm100 -110.73 150.91 42.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.1 Cg_endo -69.69 -53.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -175.99 149.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -123.07 122.09 37.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.2 p -77.9 -40.65 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 73.4 m-80 -63.58 -40.3 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -95.56 154.58 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 17.2 t80 -81.77 154.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.567 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 13.5 mmm -143.03 158.83 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.601 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -134.09 174.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 28' ' ' ILE . 31.8 tt0 -124.42 127.68 47.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -77.39 124.04 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.514 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.44 21.08 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 56' ' ' HIS . 59.0 mt -125.86 -38.28 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 13.0 m -112.58 -9.84 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 63.02 26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 2.1 m-20 -101.62 -173.91 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.548 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 76.4 m95 -130.42 158.78 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 73.9 m-85 -162.03 139.95 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 38.5 m80 -60.7 124.92 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.559 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -52.34 -14.53 2.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 p -88.59 -45.68 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.65 -23.12 65.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 55' ' ' TYR . 21.5 m -97.66 -40.62 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 112.49 24.63 4.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.583 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 82.7 mt -117.92 134.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.84 157.35 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.8 -33.14 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.5 -18.59 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -92.7 -34.76 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -48.87 -53.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.65 -24.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.65 -24.22 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 83.6 mt -76.51 98.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.0 t0 -61.62 -45.69 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.514 HG23 ' HA3' ' A' ' 31' ' ' GLY . 28.2 mt -134.92 95.31 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 2.7 t80 -64.88 139.37 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.664 ' CE1' HD11 ' A' ' 32' ' ' LEU . 7.0 m170 -115.43 109.83 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.88 158.44 0.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.73 7.07 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.36 -24.61 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' HD12 ' A' ' 32' ' ' LEU . 80.9 m -94.14 -31.3 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.9 tt0 -59.6 -10.84 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.05 -11.54 55.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.01 -50.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -73.73 -54.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 131.75 -149.74 19.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 169.57 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 p -85.14 139.69 31.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 69' ' ' MET . 25.8 mm -66.42 156.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.169 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' HG22 ' A' ' 68' ' ' ILE . 25.0 mtp -126.06 147.79 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 60.7 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.83 0.263 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 29.2 m -77.18 156.36 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.547 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 3.9 m-85 -132.28 -49.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 8.3 t -62.82 170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.98 -25.73 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 m -66.79 -8.99 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 8.5 mmt85 73.25 38.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.433 ' C ' HG12 ' A' ' 13' ' ' VAL . 11.7 mm100 -115.73 149.32 42.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -53.98 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -176.58 157.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' ND2' ' ND1' ' A' ' 25' ' ' HIS . 4.6 m120 -136.63 104.22 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.15 -27.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -80.06 -38.81 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' ND1' ' ND2' ' A' ' 22' ' ' ASN . 21.2 m80 -94.34 123.01 37.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -48.26 148.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.5 mtp -151.54 149.85 29.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.752 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -123.52 177.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 30.5 tt0 -130.41 132.29 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -75.34 123.07 24.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.585 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -81.62 25.38 3.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 56' ' ' HIS . 66.9 mt -126.18 -46.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.08 -2.69 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 59.84 49.57 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 10.8 m-20 -107.2 -173.71 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.495 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 75.8 m95 -141.34 145.54 35.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 37.7 m-85 -154.73 167.79 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -92.49 135.3 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.37 -20.16 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -85.75 -23.36 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.82 -29.61 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.6 m -97.48 -35.81 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.92 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 91.5 mt -124.92 143.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -112.1 146.4 38.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.34 -40.38 61.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -86.47 -27.62 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.07 -50.47 58.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.08 -17.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -99.02 -18.12 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.9 mt -83.77 98.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.483 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.7 t0 -64.39 -48.05 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.585 HG23 ' HA3' ' A' ' 31' ' ' GLY . 25.6 mt -134.77 96.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.752 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.6 t80 -67.7 142.05 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 66' ' ' PRO . 34.2 m170 -119.01 112.87 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -56.41 156.41 11.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.77 6.73 1.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.32 -25.92 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.9 m -96.97 -34.13 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.17 -25.57 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -2.45 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -135.06 -50.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -76.14 -47.41 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.37 -150.09 17.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 54.1 Cg_endo -69.77 173.73 10.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -92.81 144.65 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 69' ' ' MET . 23.4 mm -71.06 158.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.471 ' N ' HG22 ' A' ' 68' ' ' ILE . 13.3 mtp -127.73 140.72 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 76.8 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.851 0.271 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -89.98 138.68 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -115.88 -42.12 3.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.8 t -64.1 175.32 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mt -83.15 -17.18 43.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 20.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 48.57 47.19 20.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.495 ' C ' HG12 ' A' ' 13' ' ' VAL . 16.3 mm100 -121.26 147.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.73 -53.34 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t80 -176.65 142.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.578 ' O ' ' CZ ' ' A' ' 21' ' ' TYR . 3.3 m-20 -91.8 141.29 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 2.1 t -90.24 116.24 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 19.8 m120 72.68 47.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 22' ' ' ASN . 11.4 m170 -145.85 131.76 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' HE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -43.01 142.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.0 mtp -158.71 127.07 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.688 HD13 ' CE2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -108.32 175.57 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 7.0 tm-20 -131.53 120.83 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 t -63.36 128.1 34.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 25.0 8.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 64' ' ' PHE . 93.2 mt -124.47 -46.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.04 -5.31 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 63.26 49.31 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -117.75 160.13 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m95 -112.76 147.3 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 43.7 m-85 -151.25 160.55 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.605 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.2 m80 -84.0 163.0 20.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.0 -25.12 62.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -85.64 -32.89 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 m -73.51 -37.21 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 4.8 m -97.34 -41.53 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 109.67 40.1 1.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 85.2 mt -126.35 127.11 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -92.88 158.5 15.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -37.26 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.57 -32.97 69.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -85.45 -38.47 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.53 -55.36 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 p -47.8 -23.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.08 -28.51 13.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.6 mt -67.3 97.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.1 t0 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -143.69 105.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.688 ' CE2' HD13 ' A' ' 28' ' ' ILE . 10.1 t80 -74.41 135.72 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -118.45 107.67 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.37 156.82 2.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.78 7.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -28.56 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.21 -33.67 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.86 -20.47 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.43 -4.06 34.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.87 -48.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.1 m-85 -75.78 -49.12 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.47 -153.94 20.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.63 12.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -89.61 139.62 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 69' ' ' MET . 20.8 mm -68.98 158.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.446 ' N ' HG22 ' A' ' 68' ' ' ILE . 21.4 mtp -134.92 136.09 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 50.6 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.832 0.263 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.4 m -89.76 148.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.06 -32.8 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -74.84 176.59 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -82.71 -28.14 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 1.9 p -68.44 -4.93 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 73.92 44.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' HG12 ' A' ' 13' ' ' VAL . 14.8 mm100 -118.94 145.95 39.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.7 Cg_endo -69.78 -54.9 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 72.7 t80 -176.8 168.32 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 8.0 m120 -155.32 106.11 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.28 -29.67 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -71.25 -37.39 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -100.12 132.56 45.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -49.95 155.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.7 mtp -161.17 144.01 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.735 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -120.56 179.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -130.6 130.05 43.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.9 t -75.52 130.96 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.33 26.07 7.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.1 mt -126.5 -49.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.35 -4.97 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 62.46 44.77 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -111.39 135.9 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -89.94 142.27 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -141.37 170.4 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.745 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.1 m80 -94.79 153.97 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 -24.8 76.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -85.09 -30.58 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.822 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.4 m -80.09 -28.45 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.3 m -104.22 -37.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.97 37.7 2.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 92.6 mt -122.58 139.65 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.55 149.12 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -55.94 -43.12 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -64.24 -20.53 66.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -95.36 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -61.13 -41.18 96.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.4 p -59.05 -13.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.63 -8.94 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 49' ' ' ALA . 89.5 mt -91.72 100.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.43 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.5 t70 -62.58 -48.79 77.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.0 mt -134.37 98.42 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 28' ' ' ILE . 14.9 t80 -69.76 139.88 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -118.34 109.49 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.79 156.07 3.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.74 8.81 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -28.32 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.535 ' CB ' HD12 ' A' ' 32' ' ' LEU . 81.9 m -94.18 -33.47 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.9 -24.19 22.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.6 -3.13 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.01 -51.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.478 ' CD1' HD13 ' A' ' 32' ' ' LEU . 50.0 m-85 -74.7 -46.51 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 125.23 -150.49 17.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.7 Cg_endo -69.77 169.7 18.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 p -90.79 144.97 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 19.4 mm -77.43 147.44 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 75.2 mmm -113.72 156.79 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 71.9 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.85 0.271 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.8 m -98.27 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.75 -43.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.0 171.21 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.54 -27.09 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -70.17 -3.52 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' HG11 ' A' ' 13' ' ' VAL . 13.5 mmt180 70.91 43.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 15.8 mm100 -120.44 149.3 49.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.78 -53.49 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -176.68 153.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB2' ' NE2' ' A' ' 38' ' ' HIS . 4.4 m-20 -138.6 106.75 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.9 -30.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -67.15 -50.6 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -94.58 108.94 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 28' ' ' ILE . 13.8 t80 -40.39 156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.527 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 25.7 mtp -140.9 146.33 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -114.42 178.29 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.4 tm-20 -131.0 121.1 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -71.83 126.3 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.94 24.45 3.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.519 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.2 mt -131.21 -36.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 21.1 m -112.36 -12.06 13.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 28.67 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.73 -173.87 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -134.5 139.98 45.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' N ' ' HE2' ' A' ' 27' ' ' MET . 13.6 m-85 -144.11 157.26 44.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 42.2 m80 -81.66 134.75 35.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.6 -23.79 29.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -83.18 -35.37 25.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -74.91 -27.45 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.2 m -102.15 -39.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 108.91 35.15 2.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 96.3 mt -121.49 118.43 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.0 137.42 38.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -37.37 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 50' ' ' VAL . 3.0 pt-20 -64.6 -25.79 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -91.41 -27.61 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.73 -43.22 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.6 p -55.18 -13.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.73 -18.03 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.498 HG12 ' CE ' ' A' ' 69' ' ' MET . 67.4 mt -85.95 98.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CB ' ' HG2' ' A' ' 70' ' ' LYS . 7.9 t0 -63.39 -43.63 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.544 HG23 ' HA3' ' A' ' 31' ' ' GLY . 27.1 mt -134.93 89.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.589 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 3.7 t80 -62.3 143.04 57.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.5 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -120.31 113.74 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -51.12 157.4 1.51 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 52.7 Cg_endo -69.82 8.2 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -109.77 -24.62 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.6 m -94.9 -30.52 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 34.5 tt0 -58.56 -19.15 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.64 -5.84 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.33 -51.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -74.51 -49.81 20.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.31 -150.85 18.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 172.35 12.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.3 p -88.44 140.35 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.8 mm -65.66 154.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.4 mmt -115.79 148.02 40.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HG2' ' CB ' ' A' ' 53' ' ' ASP . 68.4 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.835 0.265 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -90.18 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.03 -44.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.5 t -61.25 174.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 -14.85 48.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 6.1 p -84.55 7.82 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? 62.61 45.43 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 14.6 mm100 -118.81 144.46 35.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.79 -57.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -177.93 144.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -116.69 111.8 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' VAL . 8.6 p -82.44 6.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -106.65 -23.39 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.08 176.68 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -84.94 149.98 25.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mtp -151.62 153.33 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.7 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.54 -175.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.9 tt0 -139.65 122.79 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.8 125.73 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.42 24.18 6.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.83 -47.61 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.8 p -115.32 -3.07 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.64 43.51 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -114.4 128.92 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 57.7 m95 -84.58 155.93 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 68.6 m-85 -153.36 172.61 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 42' ' ' VAL . 32.2 m80 -98.63 141.89 30.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.2 -30.81 61.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 p -83.06 -22.06 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -86.6 -28.77 23.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.8 m -108.1 -27.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.1 41.84 3.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.548 HD11 ' CD1' ' A' ' 55' ' ' TYR . 78.4 mt -123.59 145.12 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -110.05 153.57 24.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.62 -52.08 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 50' ' ' VAL . 4.7 pm0 -54.82 -28.15 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.46 -36.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -52.6 -50.88 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 47' ' ' GLU . 12.6 p -46.9 -22.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 50' ' ' VAL . 5.1 m-20 -100.34 -21.68 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.87 96.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.3 t0 -60.67 -42.1 96.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.22 106.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.0 t80 -75.16 135.79 41.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -116.35 108.86 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -53.01 157.01 3.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.77 8.05 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.46 -27.24 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -94.53 -33.13 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -56.49 -19.43 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -6.33 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 -48.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -76.39 -49.81 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.76 -152.8 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.06 13.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -87.54 148.6 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 69' ' ' MET . 20.5 mm -77.06 156.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.401 ' N ' HG22 ' A' ' 68' ' ' ILE . 17.6 mtp -129.66 139.86 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 29.7 mttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.843 0.268 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -70.08 162.37 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' O ' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -121.53 -40.37 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.4 t -72.58 173.72 8.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.22 -26.19 33.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' C ' ' HG2' ' A' ' 18' ' ' ARG . 3.9 p -67.53 -2.92 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' HG11 ' A' ' 13' ' ' VAL . 5.7 mmt85 74.97 46.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -130.94 148.39 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.8 -60.34 0.07 OUTLIER 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 15.6 t80 -176.85 160.51 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 52.9 m-20 -130.78 125.33 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.96 -25.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -92.87 22.1 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -152.89 157.8 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 1.3 t80 -74.03 142.76 45.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.579 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 8.1 mtp -155.49 135.19 12.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.981 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -103.4 -173.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 43.2 tt0 -140.92 124.25 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 t -74.27 121.3 21.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 22.11 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 56' ' ' HIS . 43.0 mt -128.21 -32.91 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 28.5 m -117.64 -10.06 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 62.94 25.03 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -104.06 149.86 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 64.1 m95 -102.65 150.79 23.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 10.5 m-85 -145.1 165.14 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.56 134.47 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -53.59 -25.51 28.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 p -79.18 -37.24 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.1 m -75.5 -30.54 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.0 m -100.56 -48.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.592 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 119.01 39.37 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 55' ' ' TYR . 76.1 mt -119.95 147.57 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -116.74 143.86 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 26.7 tt0 -54.27 -27.45 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.98 -27.74 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -93.81 -31.68 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -57.4 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.43 -18.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.73 -13.49 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.542 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 97.1 mt -81.02 102.4 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.5 t0 -68.07 -46.12 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.4 mt -135.02 99.25 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.981 ' CE2' HD13 ' A' ' 28' ' ' ILE . 11.2 t80 -70.23 142.63 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 32' ' ' LEU . 17.4 m170 -121.53 108.69 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.9 p -45.53 157.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 7.24 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.81 -26.69 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 72.9 m -91.47 -31.93 15.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 36.5 tt0 -58.02 -16.53 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.84 -4.7 53.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.04 -51.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.07 -49.3 37.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.83 -151.45 18.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 170.55 16.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -82.77 158.49 22.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.6 mm -89.0 153.6 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.542 ' HE2' ' HA ' ' A' ' 52' ' ' ILE . 7.1 mmt -116.78 151.64 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.4 mttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.798 0.249 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.3 m -84.57 154.26 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 7.4 m-85 -129.94 -68.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 22.5 t -43.78 166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -25.98 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.16 -13.63 58.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.5 mmt85 74.95 41.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -116.94 150.98 46.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -56.77 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -176.22 147.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -132.92 86.64 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.23 -24.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.7 144.14 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' A' ' 38' ' ' HIS . 9.5 mmm -147.65 148.49 31.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.13 -175.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 57.3 tt0 -133.97 137.19 44.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.2 t -82.75 126.65 32.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -80.68 21.15 5.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 60' ' ' CYS . 33.7 mt -125.57 -36.64 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 4.5 m -115.77 -8.12 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 62.51 24.98 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 40.0 m-20 -98.52 -173.65 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 66.7 m95 -131.72 160.99 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 36' ' ' TRP . 80.4 m-85 -162.52 135.22 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' VAL . 66.9 m-70 -57.85 135.14 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 26' ' ' PHE . . . -63.0 -16.56 57.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.2 m -87.15 -26.13 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.7 m -89.05 -23.51 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.2 m -102.14 -28.93 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.14 40.2 3.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 76.7 mt -127.16 128.98 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -95.46 162.23 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 40.2 tt0 -67.6 -36.77 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -62.7 -25.67 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -90.05 -34.95 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.31 -51.53 14.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' OD1' ' A' ' 51' ' ' ASP . 11.7 p -51.04 -25.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' OD1' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -96.28 -15.05 22.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -85.16 95.18 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.6 t0 -62.21 -48.06 81.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.435 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.9 mt -135.2 100.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.641 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 18.3 t80 -69.78 143.74 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.56 107.47 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.1 p -46.78 158.62 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.11 -24.59 11.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.553 ' HB3' HD12 ' A' ' 32' ' ' LEU . 97.3 m -92.99 -32.64 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 35.6 tt0 -59.05 -10.79 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.58 59.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.42 -47.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -76.63 -52.28 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 130.08 -150.82 19.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.28 24.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -84.67 140.89 31.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 69' ' ' MET . 25.7 mm -67.98 160.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' HG22 ' A' ' 68' ' ' ILE . 5.6 mtp -127.37 147.89 50.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 75.7 mttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.881 0.284 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 18' ' ' ARG . 31.6 m -88.24 129.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 1.8 m-85 -103.31 -56.34 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.4 t -47.01 174.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.78 -17.88 46.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 9.0 p -85.37 12.5 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' O ' HG11 ' A' ' 13' ' ' VAL . 2.1 mpt_? 58.82 50.62 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 10.6 mm100 -118.84 143.3 33.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -57.05 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -177.11 143.22 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -134.27 85.9 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 24' ' ' ASN . 10.9 p -44.32 -45.74 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 23' ' ' VAL . 2.3 m120 -58.87 -31.04 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -99.78 115.05 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -44.65 145.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.5 mtp -147.4 161.73 40.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.989 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.77 -179.05 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 9.2 tm-20 -131.57 127.12 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 t -75.32 126.5 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.75 24.0 3.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 60' ' ' CYS . 64.4 mt -130.25 -36.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 6.5 m -117.26 -9.29 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 61.46 25.36 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 98.2 m-20 -93.35 169.95 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.5 m95 -119.56 149.83 41.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -152.5 164.48 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -89.37 144.39 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.82 67.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -82.93 -32.7 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.6 m -74.73 -34.2 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 43' ' ' GLY . 6.3 m -99.49 -43.17 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.17 43.99 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 64.7 mt -127.38 130.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 7.9 mm-40 -95.67 160.58 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 2.7 tm-20 -67.41 -39.9 85.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.85 -27.86 65.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 45' ' ' GLU . 17.3 m-20 -88.95 -37.54 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -46.52 -53.97 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 p -49.12 -23.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.18 -18.78 18.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.2 mt -79.83 98.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -64.81 -47.36 78.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.485 HG23 ' HA3' ' A' ' 31' ' ' GLY . 23.1 mt -135.04 97.94 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.989 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.1 t80 -67.85 143.27 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.45 112.03 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -49.65 157.8 0.94 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.75 5.79 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.22 -24.55 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.592 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.6 m -93.38 -32.8 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.8 tt0 -59.72 -10.11 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.97 -7.08 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.9 t -133.97 -47.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.93 -49.04 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 125.13 -150.54 17.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.34 34.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 p -86.38 147.29 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 22.0 mm -66.97 159.85 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.6 mtp -131.7 138.39 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 37.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.77 0.238 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.465 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -84.72 158.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.71 -37.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.04 174.84 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.65 -29.29 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -64.77 -5.97 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 13' ' ' VAL . 11.9 mmt180 70.79 41.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.465 ' C ' HG12 ' A' ' 13' ' ' VAL . 13.3 mm100 -117.95 148.9 44.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.0 Cg_endo -69.79 -54.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 23' ' ' VAL . 47.4 t80 -175.87 140.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -128.82 82.05 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 7.4 p -42.96 -38.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.45 -39.03 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.39 137.51 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 1.8 t80 -57.45 149.45 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.557 ' SD ' ' C ' ' A' ' 37' ' ' PHE . 8.3 mmm -146.6 161.57 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.563 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -140.05 178.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -128.13 122.6 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -68.11 127.33 32.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.19 26.66 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 56' ' ' HIS . 62.9 mt -126.29 -49.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.94 -4.52 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 63.2 47.28 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.9 m-20 -113.26 169.07 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.648 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 84.8 m95 -116.66 156.09 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 40.8 m-85 -162.39 135.32 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.523 ' N ' ' SD ' ' A' ' 27' ' ' MET . 47.1 m80 -66.52 136.34 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.62 -25.36 42.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -79.33 -28.76 42.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.43 -31.72 26.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.4 m -100.06 -29.08 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 98.45 37.59 4.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TYR . 97.7 mt -116.89 141.34 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.16 151.58 27.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 12.0 tt0 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.23 -27.74 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -90.0 -36.69 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -47.47 -55.02 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -49.31 -21.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.38 -28.46 14.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -67.88 96.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.1 t0 -58.75 -44.54 90.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 68' ' ' ILE . 26.7 mt -142.28 105.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 28' ' ' ILE . 6.7 t80 -74.35 136.99 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.4 m170 -118.61 111.29 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 15.7 p -54.43 158.06 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.77 10.48 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -109.27 -34.2 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.82 -30.4 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 30.0 tt0 -57.1 -21.04 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.2 -9.21 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -127.98 -52.09 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -74.03 -54.48 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.99 -151.46 20.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -89.5 136.68 32.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 23.4 mm -65.0 146.95 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 mtp -122.93 134.09 54.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 43.7 mttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.832 0.263 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.9 m -86.19 152.44 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.36 -41.39 1.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.78 175.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.28 -22.71 41.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 p -82.78 14.46 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 2.1 mpt_? 56.29 51.28 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -120.77 140.8 31.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -56.29 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -177.56 131.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.51 87.81 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.22 -22.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -74.87 -35.79 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -101.05 173.47 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -86.51 144.8 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 16.1 mtp -147.07 152.97 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.151 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -126.17 -178.28 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 20.7 tt0 -134.51 126.02 28.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 t -74.47 122.04 22.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.526 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -76.84 21.34 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 HD11 ' NE2' ' A' ' 56' ' ' HIS . 42.7 mt -128.84 -32.38 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 45.7 m -116.29 -12.82 11.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 63.02 27.68 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 3.2 m-20 -96.25 -173.4 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 80.3 m95 -136.73 137.36 39.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' N ' ' HE2' ' A' ' 27' ' ' MET . 68.6 m-85 -139.13 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -96.61 143.11 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.22 65.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -82.41 -30.85 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -79.33 -29.73 42.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 43' ' ' GLY . 4.9 m -101.91 -41.75 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.94 37.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 54.0 mt -122.63 149.3 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -115.2 150.1 36.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 27.6 tt0 -60.68 -36.0 77.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.2 pt-20 -62.19 -32.18 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.0 m120 -90.74 -30.21 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.02 -45.97 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -52.76 -22.76 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.13 -15.84 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 49' ' ' ALA . 93.3 mt -83.36 101.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.4 t70 -69.96 -43.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.526 HG23 ' HA3' ' A' ' 31' ' ' GLY . 39.1 mt -134.94 92.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.151 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.6 t80 -63.76 144.98 56.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.512 ' NE2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -121.84 110.12 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.482 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.3 p -46.88 157.43 0.47 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.75 10.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -110.24 -30.18 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' HG ' ' HG ' ' A' ' 57' ' ' CYS . 83.1 m -90.22 -31.51 16.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.12 -23.8 22.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.21 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.03 -49.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -79.25 -47.9 15.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.75 -151.85 17.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.28 12.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 p -82.86 141.83 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 69' ' ' MET . 32.6 mm -68.59 165.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.599 ' N ' HG22 ' A' ' 68' ' ' ILE . 7.6 mtp -131.43 143.82 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 19.2 mttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.842 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 30.3 m -94.73 153.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.95 -38.45 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.6 t -67.28 173.91 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -25.13 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -72.48 -0.1 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 69.33 40.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 14.4 mm100 -119.38 148.72 46.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.6 Cg_endo -69.76 -54.37 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 40.7 t80 -176.9 165.42 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 6.4 m120 -139.57 116.53 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -67.98 -40.99 84.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.0 m120 -59.88 -54.52 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -84.55 163.42 19.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 7.7 t80 -92.94 153.91 18.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 48.1 mtp -141.46 144.19 34.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -107.55 175.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.66 ' H ' HG22 ' A' ' 28' ' ' ILE . 19.8 tt0 -127.43 121.15 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.1 128.21 35.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.19 27.86 6.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.29 -46.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.55 -6.82 13.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 62.48 46.81 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -116.4 142.61 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -95.09 143.78 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 42.4 m-85 -144.75 163.86 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 42' ' ' VAL . 44.2 m80 -88.53 129.23 35.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.05 -25.08 9.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -84.3 -33.32 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.92 -29.7 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.478 HG11 ' OH ' ' A' ' 55' ' ' TYR . 27.2 m -98.65 -35.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.16 32.52 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 97.0 mt -118.43 128.15 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -91.18 137.08 32.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.88 -38.66 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.8 pt-20 -59.95 -29.13 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.8 m120 -86.13 -33.04 20.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.08 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' VAL . 6.8 p -50.85 -16.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' C ' ' HE3' ' A' ' 70' ' ' LYS . 28.7 m-20 -105.22 -20.06 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.99 95.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 12.9 t0 -56.52 -45.15 81.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.0 mt -138.87 103.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.478 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.9 t80 -73.82 137.65 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 34.7 m170 -118.04 113.79 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -56.85 157.42 10.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.1 Cg_endo -69.85 11.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.28 -31.33 7.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.4 m -92.01 -32.01 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -54.11 -25.15 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -0.29 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.02 -48.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.94 -48.77 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.76 -150.46 19.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 177.78 5.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -93.98 134.53 36.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.84 153.4 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.6 mtp -127.67 135.94 50.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 14.7 mttt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.835 0.264 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.3 m -86.43 157.13 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -132.71 -35.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.92 -178.75 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.31 -14.53 38.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -86.38 8.89 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG11 ' A' ' 13' ' ' VAL . 10.4 mpt_? 61.49 43.83 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' C ' HG12 ' A' ' 13' ' ' VAL . 16.6 mm100 -119.83 144.36 37.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.4 Cg_endo -69.79 -56.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.624 ' CE1' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -178.53 116.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.1 m-20 -106.28 70.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.624 HG22 ' CE1' ' A' ' 21' ' ' TYR . 83.4 t -51.16 -32.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -48.0 -21.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -113.49 -81.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 12.7 t80 179.77 157.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 19.2 mtp -165.62 158.2 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.634 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -134.85 -174.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -136.06 132.6 36.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.74 126.07 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.68 27.96 3.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 64' ' ' PHE . 67.2 mt -128.29 -48.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.44 -4.03 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.33 47.05 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.83 154.12 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.3 m95 -109.55 141.79 41.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' A' ' 27' ' ' MET . 52.3 m-85 -142.64 174.67 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.3 m80 -101.29 157.84 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.04 -29.13 67.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -84.11 -28.83 27.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.8 -31.06 45.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 2.6 m -106.05 -45.24 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 116.08 42.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 94.9 mt -128.55 120.16 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.86 151.34 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 30.5 tt0 -58.87 -42.37 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.54 -28.17 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -91.61 -26.98 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -54.02 -40.83 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 50' ' ' VAL . 8.5 p -62.74 -8.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -109.78 -2.55 17.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mt -95.53 93.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.9 t70 -58.9 -39.1 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.8 mt -145.31 105.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.634 ' CE2' HD13 ' A' ' 28' ' ' ILE . 25.0 t80 -76.8 142.1 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -121.27 108.36 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -51.59 156.51 2.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.74 7.73 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -108.63 -25.02 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.406 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.0 m -98.0 -30.75 12.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.74 -26.87 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.3 -5.82 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.1 -51.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' HD13 ' A' ' 32' ' ' LEU . 53.2 m-85 -75.43 -48.37 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.17 -153.24 19.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.2 9.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.13 145.53 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 69' ' ' MET . 17.7 mm -78.33 161.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.473 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.6 mtp -133.07 137.62 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.2 mttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.798 0.249 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.515 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.8 m -102.98 157.85 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -134.95 -44.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.54 175.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.46 -27.14 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.9 p -68.7 -2.37 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' HG11 ' A' ' 13' ' ' VAL . 15.1 mmt180 69.41 39.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.515 ' C ' HG12 ' A' ' 13' ' ' VAL . 13.5 mm100 -117.56 152.42 49.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.81 -56.01 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -178.11 142.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.608 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 1.8 t-20 -113.18 160.92 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -112.36 -27.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -78.3 -23.22 47.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.41 112.18 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 28' ' ' ILE . 4.4 t80 -41.09 151.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.564 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 mtp -131.94 137.74 48.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -108.45 173.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' ILE . 44.8 tt0 -127.39 120.74 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 46.3 t -68.55 128.51 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -90.06 21.94 28.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -123.39 -43.54 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.64 -4.73 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 62.14 46.08 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.06 177.15 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -128.48 137.9 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.15 163.55 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 42' ' ' VAL . 51.7 m80 -89.56 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -59.58 -17.2 40.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 m -89.91 -39.13 13.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.9 m -72.64 -32.25 65.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 38' ' ' HIS . 24.9 m -94.63 -28.73 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.8 32.19 6.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.0 124.69 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.39 151.86 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -40.96 97.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.64 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.38 -29.48 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -52.75 -52.47 56.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 2.5 p -49.9 -17.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.38 -23.58 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.3 101.64 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.4 t0 -62.99 -46.21 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.535 HG23 ' HA3' ' A' ' 31' ' ' GLY . 31.3 mt -134.35 96.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.466 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.1 t80 -67.93 132.91 48.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.412 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 30.1 m170 -111.43 110.83 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.14 156.48 7.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 8.88 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.51 -25.74 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.34 -31.29 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.25 -19.6 14.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.7 -1.73 32.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.98 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -81.55 -49.31 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.31 -151.9 19.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.8 Cg_endo -69.77 172.8 11.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 m -89.2 133.42 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 28.5 mm -63.48 158.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.1 mtp -124.26 140.33 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 77.6 mttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -167.44 137.83 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -43.39 -50.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 -158.44 10.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 68.49 42.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -75.49 170.37 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.12 -33.16 6.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.9 mmm 60.09 43.5 14.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.19 130.09 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.7 pt? -113.77 138.93 49.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -148.61 119.62 4.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 157.47 60.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.6 m -88.55 141.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -117.98 -43.58 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.4 t -59.1 172.44 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.77 -21.26 48.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -85.05 23.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' HG11 ' A' ' 13' ' ' VAL . 3.4 mpt_? 47.95 49.32 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -124.14 143.44 42.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -176.7 155.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' NE2' ' A' ' 38' ' ' HIS . 2.7 m120 -133.6 110.72 10.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 24' ' ' ASN . 84.8 t -61.07 -63.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' VAL . 11.4 m120 -34.36 -46.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.54 165.19 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 28' ' ' ILE . 3.2 t80 -95.91 148.41 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 37.6 mtp -131.71 140.18 49.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.22 167.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -119.53 120.68 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.85 127.58 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.01 24.7 8.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.28 -47.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -6.08 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 62.87 46.77 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -114.65 147.15 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -98.78 143.05 29.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 78.5 m-85 -144.91 161.92 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 m80 -85.65 127.7 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -48.98 -26.47 5.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.41 -36.28 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -72.25 -27.64 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG11 ' OH ' ' A' ' 55' ' ' TYR . 28.1 m -100.19 -38.09 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.37 32.37 3.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.1 mt -118.92 120.49 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -78.81 136.88 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.75 -39.57 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.54 -24.69 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -93.62 -30.51 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.35 -46.87 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.01 -20.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -96.87 -23.93 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' ALA . 87.1 mt -73.73 99.85 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.466 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -62.07 -45.45 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.2 mt -134.93 95.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -67.4 134.75 52.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 32.7 m170 -114.5 112.04 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.63 156.94 8.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.78 8.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -109.92 -25.55 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.6 m -98.39 -31.38 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.03 -22.86 17.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.86 -1.26 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.94 -44.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -84.16 -48.74 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.29 -156.07 21.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.26 9.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.9 p -84.37 134.63 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 69' ' ' MET . 22.1 mm -67.44 157.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.5 mtp -125.85 141.42 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 58.4 mttt -59.13 -176.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' TRP . 43.7 t30 -95.92 -44.72 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 93.2 m95 37.41 48.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.94 82.53 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -121.14 81.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.65 159.05 31.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 138.37 37.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.0 p -49.68 140.06 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.9 p -112.2 42.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.509 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -108.44 -48.34 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 45.97 42.26 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.2 168.81 13.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -103.66 85.63 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -161.64 172.29 16.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -123.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' ALA . 21.8 mtm 58.77 53.28 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.1 138.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 11' ' ' VAL . 45.9 mt -106.7 115.45 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG23 ' HD2' ' A' ' 12' ' ' PRO . 2.2 p -34.05 133.69 0.37 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.116 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.6 Cg_endo -69.8 162.3 42.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.64 2.227 . . . . 0.0 112.332 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -91.61 145.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -121.31 -37.41 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.82 176.28 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -84.11 -24.31 30.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 2.4 p -73.27 0.04 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 70.59 40.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 12.9 mm100 -117.36 144.8 34.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.75 -54.46 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -176.96 156.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.6 117.7 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -71.8 -44.45 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' N ' HG13 ' A' ' 23' ' ' VAL . 3.8 m-80 -65.58 -37.56 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.68 138.98 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.21 150.77 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mtp -150.28 153.34 35.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.679 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -129.87 176.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 50.3 tt0 -128.53 128.62 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 t -73.1 122.38 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.439 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -82.15 27.38 3.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 64' ' ' PHE . 93.9 mt -128.68 -45.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.84 -6.43 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.5 51.56 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 8.4 m-20 -112.04 -174.06 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -138.16 136.89 37.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -142.95 172.25 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.763 ' O ' HG22 ' A' ' 42' ' ' VAL . 39.8 m80 -99.46 156.53 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -70.76 -30.87 67.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -80.05 -23.23 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 38' ' ' HIS . 13.8 m -101.99 -29.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 97.99 39.3 3.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.553 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 95.2 mt -122.96 150.53 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -118.9 143.86 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.88 -39.18 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.46 -29.15 69.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -89.03 -34.04 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -48.21 -53.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -50.36 -18.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -101.0 -26.86 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 49' ' ' ALA . 79.4 mt -70.12 93.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -54.63 -39.25 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.439 HG23 ' HA3' ' A' ' 31' ' ' GLY . 24.2 mt -149.03 105.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.679 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.9 t80 -74.66 137.14 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -117.09 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.0 p -55.6 156.42 8.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.72 6.03 1.45 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -105.82 -25.78 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -98.18 -31.96 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.66 -24.28 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.1 -2.09 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.9 t -134.98 -47.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CG ' HD13 ' A' ' 32' ' ' LEU . 38.4 m-85 -80.01 -50.01 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.2 -157.4 22.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 173.53 10.85 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.634 2.222 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' MET . 24.6 mm -69.73 157.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 68' ' ' ILE . 23.0 mtp -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 58.3 mttt -57.29 172.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -111.27 58.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 77.2 m95 -61.67 -60.85 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -130.54 111.93 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 p -71.71 -48.07 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.34 -173.08 21.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -125.85 -63.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.5 p -174.59 135.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.475 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -150.16 110.8 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.54 157.31 42.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.93 105.23 2.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -110.95 -58.58 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -161.0 131.42 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.91 90.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.9 mtp -92.13 129.64 38.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.91 148.02 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.6 mt -92.62 113.76 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.18 121.16 3.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.2 35.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.0 m -91.19 159.09 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.43 -49.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.9 t -62.01 171.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.8 -20.55 59.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m -77.86 9.31 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' O ' HG11 ' A' ' 13' ' ' VAL . 3.3 mpt_? 56.4 38.65 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -113.35 147.39 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.8 Cg_endo -69.76 -53.68 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.461 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 80.9 t80 -176.99 150.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -124.54 94.57 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.3 p -53.17 -40.8 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.7 m120 -59.2 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -83.02 165.42 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HG13 ' A' ' 28' ' ' ILE . 1.4 t80 -89.33 146.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.513 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 53.0 mtp -141.24 146.96 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.5 -178.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.694 ' H ' HG22 ' A' ' 28' ' ' ILE . 20.8 tt0 -134.21 115.79 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.27 130.24 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.72 20.87 25.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 64' ' ' PHE . 85.9 mt -121.02 -47.0 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.08 4.69 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 52.28 47.88 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.85 146.15 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 77.8 m95 -99.68 148.31 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 65.7 m-85 -148.16 163.55 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -85.2 122.02 28.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -45.84 -19.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -83.99 -40.83 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -71.51 -31.53 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG11 ' OH ' ' A' ' 55' ' ' TYR . 23.9 m -96.17 -36.66 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.12 38.64 3.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 89.4 mt -129.0 116.7 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.32 150.4 27.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 50.0 tt0 -57.38 -34.0 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.94 -24.28 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.79 -32.42 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.56 -52.24 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -45.03 -22.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -25.51 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' ALA . 81.5 mt -75.5 98.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.8 t0 -59.52 -47.7 84.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.04 99.04 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.626 ' OH ' HG11 ' A' ' 42' ' ' VAL . 2.0 t80 -70.24 137.69 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.473 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 23.5 m170 -118.04 111.86 19.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.473 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.1 p -55.32 157.14 6.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.71 5.53 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.24 -25.32 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.437 ' CB ' HD12 ' A' ' 32' ' ' LEU . 67.6 m -98.96 -33.43 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 7.0 tt0 -52.69 -29.7 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.87 0.62 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -135.01 -46.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 32' ' ' LEU . 43.8 m-85 -84.5 -48.3 9.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.56 -152.35 19.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.63 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.1 p -93.93 137.32 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.21 153.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -121.18 145.22 48.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.9 mttt -65.97 176.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.3 p-10 -120.49 37.48 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.465 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 97.7 m95 -37.9 157.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -93.34 97.29 10.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -100.4 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.8 -131.91 11.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 159.17 54.4 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.6 p -78.52 130.27 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.2 p -127.31 -27.64 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.456 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -108.89 147.05 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -55.37 -57.12 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 123.95 34.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -94.16 95.71 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -57.68 167.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.04 -124.27 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.2 mtp -48.1 140.32 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.48 162.04 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.2 171.35 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.95 129.18 17.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 111.119 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.78 156.81 62.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' C ' ' A' ' 18' ' ' ARG . 26.7 m -79.28 165.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -129.29 -48.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.5 t -62.23 171.91 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.8 -21.52 55.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.4 p -82.21 15.62 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.561 ' C ' HG11 ' A' ' 13' ' ' VAL . 1.4 mpt_? 56.08 52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 82.9 mm-40 -127.69 140.72 38.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.73 -59.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -171.61 151.53 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -136.13 123.1 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -74.9 -23.6 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -71.6 -62.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -86.24 120.34 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 5.9 t80 -47.1 144.14 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.8 mtp -136.57 130.86 33.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -90.75 -179.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 28' ' ' ILE . 24.1 tt0 -129.03 119.92 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 40.9 t -75.85 119.9 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.17 30.11 3.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -129.55 -47.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.56 -4.71 14.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 62.75 40.98 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -118.69 132.97 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' ILE . 52.8 m95 -86.65 143.09 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 28' ' ' ILE . 28.4 m-85 -135.24 152.18 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.7 m80 -76.77 121.04 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.92 -20.46 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 31.4 p -85.03 -42.66 14.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.57 -29.47 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.51 HG11 ' OH ' ' A' ' 55' ' ' TYR . 20.9 m -100.46 -39.74 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 105.96 37.3 2.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.2 mt -123.06 123.65 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.16 152.24 24.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.27 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 50' ' ' VAL . 8.5 pt-20 -65.12 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -89.43 -31.28 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 47' ' ' GLU . 11.6 p -51.34 -22.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -99.09 -18.88 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.6 mt -78.96 94.28 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' SER . 37.9 mt -139.56 106.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -78.93 136.49 37.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.51 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 36.0 m170 -117.99 111.85 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.8 p -54.84 156.47 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.75 7.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.7 m -98.46 -31.24 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.39 -21.76 16.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -2.1 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 t -134.95 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -82.75 -49.66 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.86 -155.11 20.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.6 Cg_endo -69.77 176.5 6.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' ILE . 99.7 p -92.06 139.98 30.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 mm -70.5 151.37 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 mtp -123.18 136.5 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HD2' ' CE2' ' A' ' 72' ' ' TRP . 44.5 mttt -56.48 178.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 72' ' ' TRP . 7.6 t-20 -121.04 -24.62 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.467 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 96.0 m95 34.24 48.8 0.28 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -61.09 111.95 1.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.7 m -51.7 167.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.33 152.19 6.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.3 p -39.88 -44.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t -161.47 142.76 11.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.487 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -160.26 168.22 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -158.07 147.04 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.46 -110.14 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m 51.02 42.47 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -174.76 143.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.74 -160.42 15.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mmt -121.31 -55.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.76 0.24 12.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' VAL . 3.9 mp -81.6 95.34 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' HD2' ' A' ' 12' ' ' PRO . 3.0 p -33.86 133.68 0.36 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.74 166.66 26.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 34.2 m -99.09 149.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -125.53 -42.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.66 175.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.81 -22.29 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.51 23.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 46.32 50.4 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -122.33 143.46 39.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HB3' HG13 ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.77 -54.58 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -177.74 139.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' HIS . 87.9 m-20 -118.53 94.68 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 24' ' ' ASN . 8.2 p -48.99 -43.27 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.457 ' N ' HG13 ' A' ' 23' ' ' VAL . 11.5 m-80 -50.69 -54.6 21.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' ASN . 1.4 m-70 -90.71 154.8 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' HG13 ' A' ' 28' ' ' ILE . 6.9 t80 -79.81 152.52 29.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.486 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 44.7 mtp -136.91 142.23 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.09 174.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' H ' HG22 ' A' ' 28' ' ' ILE . 55.3 tt0 -127.11 121.42 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.92 127.45 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.18 22.04 17.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' CE1' ' A' ' 56' ' ' HIS . 58.8 mt -124.89 -43.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.6 p -113.26 -6.49 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 61.51 47.94 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.7 160.71 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -112.36 136.78 51.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -135.72 172.25 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -97.29 123.95 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.46 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -45.83 -25.73 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 m -85.05 -41.15 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.82 -29.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.0 m -97.55 -41.1 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 110.82 31.51 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.8 mt -119.29 125.03 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.04 148.52 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -34.01 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.41 -32.76 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -86.09 -31.92 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.91 -56.39 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -48.11 -20.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.68 -24.63 15.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.22 100.33 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -59.94 -48.14 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.72 98.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.5 t80 -70.89 135.09 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.538 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.6 m170 -115.89 111.5 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.6 p -54.09 157.02 4.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.78 6.12 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -104.79 -27.74 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.21 -30.31 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 15.7 tt0 -55.89 -25.84 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.91 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.4 -52.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -76.62 -50.39 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 129.53 -148.49 18.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.84 175.33 8.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -96.55 141.32 29.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 69' ' ' MET . 22.3 mm -67.55 156.82 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 68' ' ' ILE . 24.8 mtp -128.18 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 42.5 mttt -61.52 169.73 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.13 51.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.438 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 66.8 m95 -49.15 179.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -98.93 107.94 20.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.1 m -146.12 165.97 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.69 -158.18 10.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -40.39 5.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p 42.25 42.04 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 p 38.78 42.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -123.81 81.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -171.82 136.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.93 61.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -121.91 43.3 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -101.92 124.99 48.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 159.37 -95.11 0.14 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.4 ptt? 34.7 43.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.315 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.17 135.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.8 109.99 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' HD2' ' A' ' 12' ' ' PRO . 3.2 p -144.9 131.95 10.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.6 Cg_endo -69.79 166.66 26.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.6 m -92.11 157.96 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -133.07 -62.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.5 t -46.98 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.65 -23.21 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -69.84 -5.92 28.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.532 ' O ' HG11 ' A' ' 13' ' ' VAL . 19.6 mmt180 70.32 39.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -118.32 151.04 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 69.7 t80 -176.7 145.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -118.28 91.96 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.6 p -54.76 -23.53 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -78.03 -40.23 39.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -96.48 158.57 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -77.48 150.74 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 14.1 mtp -147.84 157.38 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.872 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -128.64 -179.19 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -131.52 128.74 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.3 t -79.21 126.27 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.3 20.95 5.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD12 ' CB ' ' A' ' 60' ' ' CYS . 73.1 mt -126.75 -36.36 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 m -114.98 -13.09 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 65.35 25.0 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 4.8 m-20 -96.16 177.77 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 84.1 m95 -125.42 151.08 46.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 71.4 m-85 -151.07 162.23 41.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.9 m80 -85.03 137.82 32.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.41 -20.18 54.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -85.19 -34.66 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.7 m -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.5 m -97.23 -38.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 107.66 37.34 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 95.9 mt -124.39 137.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -99.44 156.4 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 63.8 tt0 -64.3 -39.22 93.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.55 -24.96 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.08 -32.85 16.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.41 -50.48 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -51.43 -23.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -96.43 -16.99 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -83.06 104.69 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.1 t70 -69.89 -47.85 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.441 HG23 ' HA3' ' A' ' 31' ' ' GLY . 19.9 mt -134.96 98.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.1 t80 -69.61 144.11 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -120.2 109.33 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.82 157.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.1 Cg_endo -69.66 6.71 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -107.64 -25.34 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.477 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.7 m -92.82 -34.15 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 45.1 tt0 -57.02 -17.57 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.0 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.95 -50.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -72.81 -49.02 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 126.08 -149.46 17.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.84 169.91 17.9 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.309 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.68 152.67 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 69' ' ' MET . 25.1 mm -75.34 160.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.477 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.7 mtp -134.81 134.33 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 52.8 mttt -50.95 176.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -111.49 68.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 90.5 m95 -79.81 44.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' TRP . 29.8 m-70 36.21 43.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.4 t -106.44 156.43 18.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 129.07 9.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.31 35.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.8 p -160.61 172.74 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -101.44 143.48 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.483 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 t -131.75 147.24 52.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -131.84 -47.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.87 140.88 2.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -123.67 121.8 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -100.01 125.81 46.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 150.18 5.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 mtp -120.6 92.95 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.12 169.12 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.4 pp -140.85 136.72 32.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.41 126.61 13.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 54.0 Cg_endo -69.71 166.49 27.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.282 . . . . 0.0 112.359 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.7 m -90.71 155.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 2.0 m-85 -133.15 -58.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 10.0 t -53.36 171.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.14 -20.84 61.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.34 6.56 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.799 ' O ' HG11 ' A' ' 13' ' ' VAL . 10.5 mpt_? 56.22 36.76 28.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.458 ' C ' HG12 ' A' ' 13' ' ' VAL . 12.3 mm100 -110.73 150.91 42.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.1 Cg_endo -69.69 -53.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -175.99 149.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -123.07 122.09 37.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.2 p -77.9 -40.65 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 73.4 m-80 -63.58 -40.3 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -95.56 154.58 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 17.2 t80 -81.77 154.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.567 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 13.5 mmm -143.03 158.83 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.601 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -134.09 174.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 28' ' ' ILE . 31.8 tt0 -124.42 127.68 47.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -77.39 124.04 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.514 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.44 21.08 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 56' ' ' HIS . 59.0 mt -125.86 -38.28 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.58 -9.84 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 63.02 26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 2.1 m-20 -101.62 -173.91 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.548 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 76.4 m95 -130.42 158.78 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 73.9 m-85 -162.03 139.95 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 38.5 m80 -60.7 124.92 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.559 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -52.34 -14.53 2.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 p -88.59 -45.68 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.65 -23.12 65.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 55' ' ' TYR . 21.5 m -97.66 -40.62 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 112.49 24.63 4.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.583 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 82.7 mt -117.92 134.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.84 157.35 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.8 -33.14 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.5 -18.59 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -92.7 -34.76 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -48.87 -53.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.65 -24.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.65 -24.22 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 83.6 mt -76.51 98.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.0 t0 -61.62 -45.69 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.514 HG23 ' HA3' ' A' ' 31' ' ' GLY . 28.2 mt -134.92 95.31 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 2.7 t80 -64.88 139.37 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.664 ' CE1' HD11 ' A' ' 32' ' ' LEU . 7.0 m170 -115.43 109.83 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.88 158.44 0.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.73 7.07 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.36 -24.61 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' HD12 ' A' ' 32' ' ' LEU . 80.9 m -94.14 -31.3 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.9 tt0 -59.6 -10.84 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.05 -11.54 55.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.01 -50.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -73.73 -54.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 131.75 -149.74 19.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 169.57 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 p -85.14 139.69 31.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 69' ' ' MET . 25.8 mm -66.42 156.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.169 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' HG22 ' A' ' 68' ' ' ILE . 25.0 mtp -126.06 147.79 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 60.7 mttt -64.4 162.41 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -97.74 46.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 99.3 m95 -48.81 103.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -99.28 88.58 3.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -102.5 -56.08 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.46 -124.11 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.52 68.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.296 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' SER . 64.0 p -82.76 40.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 21.3 t 34.66 41.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -134.4 172.63 12.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -128.05 132.59 49.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.1 94.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -158.14 179.4 9.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t 62.45 47.89 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.64 -132.56 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -108.72 177.27 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.54 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 11' ' ' VAL . 5.3 mp -134.62 117.05 15.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.3 p -33.69 128.5 0.42 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.186 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.3 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 29.2 m -77.18 156.36 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.547 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 3.9 m-85 -132.28 -49.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 8.3 t -62.82 170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.98 -25.73 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 m -66.79 -8.99 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 8.5 mmt85 73.25 38.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' C ' HG12 ' A' ' 13' ' ' VAL . 11.7 mm100 -115.73 149.32 42.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -53.98 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -176.58 157.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' ND2' ' ND1' ' A' ' 25' ' ' HIS . 4.6 m120 -136.63 104.22 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.15 -27.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -80.06 -38.81 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' ND1' ' ND2' ' A' ' 22' ' ' ASN . 21.2 m80 -94.34 123.01 37.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -48.26 148.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.5 mtp -151.54 149.85 29.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.752 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -123.52 177.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 30.5 tt0 -130.41 132.29 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -75.34 123.07 24.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.585 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -81.62 25.38 3.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 56' ' ' HIS . 66.9 mt -126.18 -46.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.08 -2.69 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 59.84 49.57 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 10.8 m-20 -107.2 -173.71 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.495 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 75.8 m95 -141.34 145.54 35.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 37.7 m-85 -154.73 167.79 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -92.49 135.3 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.37 -20.16 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -85.75 -23.36 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.82 -29.61 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.6 m -97.48 -35.81 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.92 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 91.5 mt -124.92 143.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -112.1 146.4 38.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.34 -40.38 61.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -86.47 -27.62 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.07 -50.47 58.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.08 -17.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -99.02 -18.12 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.9 mt -83.77 98.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.7 t0 -64.39 -48.05 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.585 HG23 ' HA3' ' A' ' 31' ' ' GLY . 25.6 mt -134.77 96.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.752 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.6 t80 -67.7 142.05 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 66' ' ' PRO . 34.2 m170 -119.01 112.87 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -56.41 156.41 11.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.77 6.73 1.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.32 -25.92 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.9 m -96.97 -34.13 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.17 -25.57 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -2.45 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -135.06 -50.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -76.14 -47.41 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.37 -150.09 17.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 54.1 Cg_endo -69.77 173.73 10.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -92.81 144.65 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 69' ' ' MET . 23.4 mm -71.06 158.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.471 ' N ' HG22 ' A' ' 68' ' ' ILE . 13.3 mtp -127.73 140.72 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 76.8 mttt -55.43 170.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -104.94 30.65 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.428 ' CD2' ' O ' ' A' ' 72' ' ' TRP . 55.7 p-90 -157.46 122.29 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.53 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 45.2 t-80 -103.68 164.65 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 44.8 t -159.07 117.83 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.53 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 67.33 138.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 -53.54 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -152.6 135.3 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.479 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -131.84 -50.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.06 160.9 22.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.01 100.27 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -153.71 166.25 33.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -165.99 168.77 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.15 -113.88 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' ALA . 6.7 ttt -89.21 168.21 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.04 130.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 11' ' ' VAL . 22.5 mt -90.14 122.4 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -32.56 132.17 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.1 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.289 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -89.98 138.68 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -115.88 -42.12 3.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.8 t -64.1 175.32 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mt -83.15 -17.18 43.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 20.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 48.57 47.19 20.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.495 ' C ' HG12 ' A' ' 13' ' ' VAL . 16.3 mm100 -121.26 147.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.73 -53.34 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t80 -176.65 142.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.578 ' O ' ' CZ ' ' A' ' 21' ' ' TYR . 3.3 m-20 -91.8 141.29 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 2.1 t -90.24 116.24 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 19.8 m120 72.68 47.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 22' ' ' ASN . 11.4 m170 -145.85 131.76 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' HE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -43.01 142.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.0 mtp -158.71 127.07 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.688 HD13 ' CE2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -108.32 175.57 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 7.0 tm-20 -131.53 120.83 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 t -63.36 128.1 34.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 25.0 8.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 64' ' ' PHE . 93.2 mt -124.47 -46.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.04 -5.31 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 63.26 49.31 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -117.75 160.13 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m95 -112.76 147.3 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 43.7 m-85 -151.25 160.55 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.605 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.2 m80 -84.0 163.0 20.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.0 -25.12 62.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -85.64 -32.89 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 m -73.51 -37.21 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 4.8 m -97.34 -41.53 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 109.67 40.1 1.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 85.2 mt -126.35 127.11 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -92.88 158.5 15.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -37.26 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.57 -32.97 69.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -85.45 -38.47 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.53 -55.36 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 p -47.8 -23.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.08 -28.51 13.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.6 mt -67.3 97.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.1 t0 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -143.69 105.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.688 ' CE2' HD13 ' A' ' 28' ' ' ILE . 10.1 t80 -74.41 135.72 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -118.45 107.67 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.37 156.82 2.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.78 7.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -28.56 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.21 -33.67 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.86 -20.47 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.43 -4.06 34.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.87 -48.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.1 m-85 -75.78 -49.12 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.47 -153.94 20.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.63 12.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -89.61 139.62 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 69' ' ' MET . 20.8 mm -68.98 158.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.446 ' N ' HG22 ' A' ' 68' ' ' ILE . 21.4 mtp -134.92 136.09 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 50.6 mttt -57.03 145.69 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' TRP . 0.2 OUTLIER -101.68 47.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.419 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 70.6 m95 -37.49 156.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -55.36 130.85 44.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 t -47.6 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.72 -154.79 18.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 149.68 67.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.274 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -90.76 44.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.9 p -109.51 -42.55 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.527 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -173.45 162.19 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -141.08 144.45 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.37 167.08 29.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -111.36 145.34 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -124.85 86.21 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.04 -172.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mmt -119.61 80.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.08 134.74 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 mt -89.25 97.42 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -43.9 123.69 4.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.567 0.699 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 161.86 44.33 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.4 m -89.76 148.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.06 -32.8 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -74.84 176.59 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -82.71 -28.14 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 1.9 p -68.44 -4.93 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 73.92 44.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.437 ' C ' HG12 ' A' ' 13' ' ' VAL . 14.8 mm100 -118.94 145.95 39.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.7 Cg_endo -69.78 -54.9 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 72.7 t80 -176.8 168.32 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 8.0 m120 -155.32 106.11 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.28 -29.67 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -71.25 -37.39 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -100.12 132.56 45.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -49.95 155.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.7 mtp -161.17 144.01 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.735 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -120.56 179.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -130.6 130.05 43.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.9 t -75.52 130.96 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.33 26.07 7.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.1 mt -126.5 -49.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.35 -4.97 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 62.46 44.77 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -111.39 135.9 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -89.94 142.27 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -141.37 170.4 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.745 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.1 m80 -94.79 153.97 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 -24.8 76.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -85.09 -30.58 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.822 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.4 m -80.09 -28.45 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.3 m -104.22 -37.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.97 37.7 2.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 92.6 mt -122.58 139.65 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.55 149.12 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -55.94 -43.12 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -64.24 -20.53 66.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -95.36 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -61.13 -41.18 96.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.4 p -59.05 -13.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.63 -8.94 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 49' ' ' ALA . 89.5 mt -91.72 100.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.5 t70 -62.58 -48.79 77.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.0 mt -134.37 98.42 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 28' ' ' ILE . 14.9 t80 -69.76 139.88 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -118.34 109.49 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.79 156.07 3.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.74 8.81 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -28.32 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.535 ' CB ' HD12 ' A' ' 32' ' ' LEU . 81.9 m -94.18 -33.47 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.9 -24.19 22.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.6 -3.13 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.01 -51.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.478 ' CD1' HD13 ' A' ' 32' ' ' LEU . 50.0 m-85 -74.7 -46.51 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 125.23 -150.49 17.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.7 Cg_endo -69.77 169.7 18.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 p -90.79 144.97 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 19.4 mm -77.43 147.44 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 75.2 mmm -113.72 156.79 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 71.9 mttt -69.31 -177.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -132.19 41.83 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 56.8 p-90 -157.88 139.18 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -127.93 123.79 35.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 t -73.28 -71.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.98 72.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.95 61.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.5 m -56.65 95.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.5 p -113.02 166.04 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.499 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -163.66 145.57 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -163.73 165.32 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.08 113.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -85.48 169.2 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -75.18 141.59 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -78.82 -37.77 25.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.2 ttp -34.51 108.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.9 140.72 47.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.2 mt -103.42 105.01 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.456 HG23 ' HD2' ' A' ' 12' ' ' PRO . 2.4 p -53.56 133.31 54.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 11' ' ' VAL . 54.5 Cg_endo -69.71 166.67 26.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.8 m -98.27 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.75 -43.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.0 171.21 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.54 -27.09 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -70.17 -3.52 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' HG11 ' A' ' 13' ' ' VAL . 13.5 mmt180 70.91 43.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 15.8 mm100 -120.44 149.3 49.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.78 -53.49 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -176.68 153.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB2' ' NE2' ' A' ' 38' ' ' HIS . 4.4 m-20 -138.6 106.75 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.9 -30.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -67.15 -50.6 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -94.58 108.94 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 28' ' ' ILE . 13.8 t80 -40.39 156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.527 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 25.7 mtp -140.9 146.33 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -114.42 178.29 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.4 tm-20 -131.0 121.1 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -71.83 126.3 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.94 24.45 3.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.519 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.2 mt -131.21 -36.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.1 m -112.36 -12.06 13.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 28.67 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.73 -173.87 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -134.5 139.98 45.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' N ' ' HE2' ' A' ' 27' ' ' MET . 13.6 m-85 -144.11 157.26 44.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 42.2 m80 -81.66 134.75 35.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.6 -23.79 29.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -83.18 -35.37 25.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -74.91 -27.45 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.2 m -102.15 -39.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 108.91 35.15 2.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 96.3 mt -121.49 118.43 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.0 137.42 38.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -37.37 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 50' ' ' VAL . 3.0 pt-20 -64.6 -25.79 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -91.41 -27.61 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.73 -43.22 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.6 p -55.18 -13.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.73 -18.03 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.498 HG12 ' CE ' ' A' ' 69' ' ' MET . 67.4 mt -85.95 98.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CB ' ' HG2' ' A' ' 70' ' ' LYS . 7.9 t0 -63.39 -43.63 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.544 HG23 ' HA3' ' A' ' 31' ' ' GLY . 27.1 mt -134.93 89.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.589 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 3.7 t80 -62.3 143.04 57.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.5 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -120.31 113.74 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -51.12 157.4 1.51 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 52.7 Cg_endo -69.82 8.2 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -109.77 -24.62 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.6 m -94.9 -30.52 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 34.5 tt0 -58.56 -19.15 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.64 -5.84 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.33 -51.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -74.51 -49.81 20.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.31 -150.85 18.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 172.35 12.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.3 p -88.44 140.35 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.8 mm -65.66 154.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.4 mmt -115.79 148.02 40.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HG2' ' CB ' ' A' ' 53' ' ' ASP . 68.4 mttt -68.08 163.85 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -117.6 52.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.451 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 42.8 p-90 -163.56 136.89 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.7 m -88.62 -40.12 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.26 -79.96 1.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 111.45 2.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -105.34 -43.42 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -108.46 134.05 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.79 139.74 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -84.81 -61.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.54 100.81 2.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -121.16 162.36 20.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -151.32 125.98 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.9 165.14 33.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ttt -114.54 1.42 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.33 0.21 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 10' ' ' LEU . 3.9 mp -87.24 94.03 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 20' ' ' PRO . 2.6 p -56.47 132.59 76.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.603 0.716 . . . . 0.0 111.175 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 11' ' ' VAL . 54.2 Cg_endo -69.69 158.95 55.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -90.18 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.03 -44.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.5 t -61.25 174.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 -14.85 48.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 6.1 p -84.55 7.82 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? 62.61 45.43 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 14.6 mm100 -118.81 144.46 35.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HB3' HG13 ' A' ' 11' ' ' VAL . 53.3 Cg_endo -69.79 -57.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -177.93 144.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -116.69 111.8 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 23' ' ' VAL . 8.6 p -82.44 6.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -106.65 -23.39 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.08 176.68 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -84.94 149.98 25.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mtp -151.62 153.33 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.7 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.54 -175.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.9 tt0 -139.65 122.79 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.8 125.73 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.42 24.18 6.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.83 -47.61 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.8 p -115.32 -3.07 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.64 43.51 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -114.4 128.92 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 57.7 m95 -84.58 155.93 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 68.6 m-85 -153.36 172.61 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 42' ' ' VAL . 32.2 m80 -98.63 141.89 30.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.2 -30.81 61.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 p -83.06 -22.06 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -86.6 -28.77 23.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.8 m -108.1 -27.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.1 41.84 3.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.548 HD11 ' CD1' ' A' ' 55' ' ' TYR . 78.4 mt -123.59 145.12 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -110.05 153.57 24.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.62 -52.08 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 50' ' ' VAL . 4.7 pm0 -54.82 -28.15 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.46 -36.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -52.6 -50.88 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 47' ' ' GLU . 12.6 p -46.9 -22.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 50' ' ' VAL . 5.1 m-20 -100.34 -21.68 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.87 96.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.3 t0 -60.67 -42.1 96.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.22 106.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.0 t80 -75.16 135.79 41.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -116.35 108.86 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -53.01 157.01 3.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.77 8.05 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.46 -27.24 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -94.53 -33.13 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -56.49 -19.43 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -6.33 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 -48.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -76.39 -49.81 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.76 -152.8 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.06 13.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -87.54 148.6 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 69' ' ' MET . 20.5 mm -77.06 156.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.401 ' N ' HG22 ' A' ' 68' ' ' ILE . 17.6 mtp -129.66 139.86 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 29.7 mttt -58.6 167.83 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' TRP . 0.6 OUTLIER -124.21 -16.33 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.469 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 64.1 m95 32.93 48.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -38.68 103.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 m -120.61 -45.4 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.54 153.9 10.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.4 13.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 t -94.42 107.95 19.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 p -52.39 -54.5 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.464 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -54.52 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t 65.13 44.4 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 176.52 16.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -171.25 160.94 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.806 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -111.31 154.23 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.04 -84.56 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.44 160.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.1 pp -142.54 135.05 27.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 p -88.1 130.28 46.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.157 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.76 139.71 40.89 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -70.08 162.37 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' O ' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -121.53 -40.37 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.4 t -72.58 173.72 8.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.22 -26.19 33.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' C ' ' HG2' ' A' ' 18' ' ' ARG . 3.9 p -67.53 -2.92 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' HG11 ' A' ' 13' ' ' VAL . 5.7 mmt85 74.97 46.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -130.94 148.39 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.8 -60.34 0.07 OUTLIER 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 15.6 t80 -176.85 160.51 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 52.9 m-20 -130.78 125.33 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.96 -25.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -92.87 22.1 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -152.89 157.8 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 1.3 t80 -74.03 142.76 45.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.579 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 8.1 mtp -155.49 135.19 12.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.981 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -103.4 -173.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 43.2 tt0 -140.92 124.25 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 t -74.27 121.3 21.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 22.11 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 56' ' ' HIS . 43.0 mt -128.21 -32.91 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -117.64 -10.06 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 62.94 25.03 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -104.06 149.86 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 64.1 m95 -102.65 150.79 23.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 10.5 m-85 -145.1 165.14 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.56 134.47 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -53.59 -25.51 28.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 p -79.18 -37.24 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.1 m -75.5 -30.54 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.0 m -100.56 -48.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.592 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 119.01 39.37 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 55' ' ' TYR . 76.1 mt -119.95 147.57 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -116.74 143.86 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 26.7 tt0 -54.27 -27.45 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.98 -27.74 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -93.81 -31.68 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -57.4 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.43 -18.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.73 -13.49 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.542 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 97.1 mt -81.02 102.4 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.5 t0 -68.07 -46.12 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.4 mt -135.02 99.25 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.981 ' CE2' HD13 ' A' ' 28' ' ' ILE . 11.2 t80 -70.23 142.63 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 32' ' ' LEU . 17.4 m170 -121.53 108.69 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.9 p -45.53 157.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 7.24 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.81 -26.69 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -91.47 -31.93 15.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 36.5 tt0 -58.02 -16.53 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.84 -4.7 53.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.04 -51.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.07 -49.3 37.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.83 -151.45 18.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 170.55 16.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -82.77 158.49 22.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.6 mm -89.0 153.6 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.542 ' HE2' ' HA ' ' A' ' 52' ' ' ILE . 7.1 mmt -116.78 151.64 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.4 mttt -66.76 165.95 14.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -104.31 44.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 99.3 m95 -49.19 112.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -47.86 -60.49 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -85.31 42.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' HA2' ' HD2' ' A' ' 76' ' ' PRO . . . -44.53 106.46 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD2' ' HA2' ' A' ' 75' ' ' GLY . 53.5 Cg_endo -69.79 -44.91 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -68.08 144.94 54.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.2 m -121.56 -53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -90.34 89.55 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.808 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -76.96 86.16 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.83 -173.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -173.23 142.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -47.23 128.62 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.19 116.43 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -135.64 168.72 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.67 149.25 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -113.89 142.87 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.46 118.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.6 Cg_endo -69.76 162.15 43.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.3 m -84.57 154.26 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 7.4 m-85 -129.94 -68.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 22.5 t -43.78 166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -25.98 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.16 -13.63 58.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.5 mmt85 74.95 41.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -116.94 150.98 46.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -56.77 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -176.22 147.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -132.92 86.64 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.23 -24.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.7 144.14 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 9.5 mmm -147.65 148.49 31.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.13 -175.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 57.3 tt0 -133.97 137.19 44.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.2 t -82.75 126.65 32.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -80.68 21.15 5.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 60' ' ' CYS . 33.7 mt -125.57 -36.64 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 m -115.77 -8.12 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 62.51 24.98 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 40.0 m-20 -98.52 -173.65 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 66.7 m95 -131.72 160.99 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 36' ' ' TRP . 80.4 m-85 -162.52 135.22 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.9 m170 -57.85 135.14 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 26' ' ' PHE . . . -63.0 -16.56 57.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.2 m -87.15 -26.13 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.7 m -89.05 -23.51 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.2 m -102.14 -28.93 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.14 40.2 3.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 76.7 mt -127.16 128.98 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -95.46 162.23 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 40.2 tt0 -67.6 -36.77 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -62.7 -25.67 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -90.05 -34.95 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.31 -51.53 14.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' OD1' ' A' ' 51' ' ' ASP . 11.7 p -51.04 -25.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' OD1' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -96.28 -15.05 22.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -85.16 95.18 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.6 t0 -62.21 -48.06 81.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.435 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.9 mt -135.2 100.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.641 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 18.3 t80 -69.78 143.74 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.56 107.47 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.1 p -46.78 158.62 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.11 -24.59 11.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.553 ' HB3' HD12 ' A' ' 32' ' ' LEU . 97.3 m -92.99 -32.64 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 35.6 tt0 -59.05 -10.79 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.58 59.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.42 -47.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -76.63 -52.28 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 130.08 -150.82 19.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.28 24.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -84.67 140.89 31.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 69' ' ' MET . 25.7 mm -67.98 160.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' HG22 ' A' ' 68' ' ' ILE . 5.6 mtp -127.37 147.89 50.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 75.7 mttt -62.78 -178.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -125.15 39.04 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.427 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 58.3 p-90 -158.15 149.91 21.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.12 169.17 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -147.67 163.8 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.25 106.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 167.25 24.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.5 p -114.14 37.98 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -72.45 132.02 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -81.09 102.97 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -79.85 111.23 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.32 91.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -97.13 -58.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -172.61 42.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.77 170.08 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.731 0.3 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.16 147.32 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.19 127.35 34.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 20' ' ' PRO . 8.5 t -58.82 134.43 86.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 0.0 111.151 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.79 130.03 18.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 18' ' ' ARG . 31.6 m -88.24 129.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 1.8 m-85 -103.31 -56.34 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.4 t -47.01 174.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.78 -17.88 46.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 9.0 p -85.37 12.5 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' O ' HG11 ' A' ' 13' ' ' VAL . 2.1 mpt_? 58.82 50.62 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 10.6 mm100 -118.84 143.3 33.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB3' ' HB ' ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.7 -57.05 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -177.11 143.22 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -134.27 85.9 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 24' ' ' ASN . 10.9 p -44.32 -45.74 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 23' ' ' VAL . 2.3 m120 -58.87 -31.04 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -99.78 115.05 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -44.65 145.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.5 mtp -147.4 161.73 40.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.989 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.77 -179.05 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 9.2 tm-20 -131.57 127.12 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 t -75.32 126.5 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.75 24.0 3.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 60' ' ' CYS . 64.4 mt -130.25 -36.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.5 m -117.26 -9.29 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 61.46 25.36 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 98.2 m-20 -93.35 169.95 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.5 m95 -119.56 149.83 41.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -152.5 164.48 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -89.37 144.39 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.82 67.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -82.93 -32.7 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.6 m -74.73 -34.2 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 43' ' ' GLY . 6.3 m -99.49 -43.17 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.17 43.99 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 64.7 mt -127.38 130.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 7.9 mm-40 -95.67 160.58 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 2.7 tm-20 -67.41 -39.9 85.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.85 -27.86 65.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 45' ' ' GLU . 17.3 m-20 -88.95 -37.54 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -46.52 -53.97 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 p -49.12 -23.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.18 -18.78 18.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.2 mt -79.83 98.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -64.81 -47.36 78.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.485 HG23 ' HA3' ' A' ' 31' ' ' GLY . 23.1 mt -135.04 97.94 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.989 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.1 t80 -67.85 143.27 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.45 112.03 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -49.65 157.8 0.94 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.75 5.79 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.22 -24.55 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.592 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.6 m -93.38 -32.8 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.8 tt0 -59.72 -10.11 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.97 -7.08 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.9 t -133.97 -47.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.93 -49.04 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 125.13 -150.54 17.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.34 34.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 p -86.38 147.29 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 22.0 mm -66.97 159.85 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.6 mtp -131.7 138.39 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 37.5 mttt -59.97 147.04 40.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' HIS . 3.3 m120 -107.93 46.63 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.461 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 68.1 m95 -37.83 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASN . 34.3 m170 57.81 43.6 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' HIS . 85.4 p 36.25 44.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.08 -76.36 0.76 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -43.36 115.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -84.35 -46.71 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.482 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -142.89 157.89 44.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -165.84 127.04 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.63 118.89 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -112.93 173.67 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -166.21 161.42 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 120.82 -40.62 2.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 35.81 41.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 128.82 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.14 128.7 36.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.41 119.83 3.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 160.56 49.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -84.72 158.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.71 -37.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.04 174.84 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.65 -29.29 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -64.77 -5.97 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 13' ' ' VAL . 11.9 mmt180 70.79 41.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.465 ' C ' HG12 ' A' ' 13' ' ' VAL . 13.3 mm100 -117.95 148.9 44.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.0 Cg_endo -69.79 -54.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 23' ' ' VAL . 47.4 t80 -175.87 140.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -128.82 82.05 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 7.4 p -42.96 -38.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.45 -39.03 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.39 137.51 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 1.8 t80 -57.45 149.45 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.557 ' SD ' ' C ' ' A' ' 37' ' ' PHE . 8.3 mmm -146.6 161.57 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.563 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -140.05 178.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -128.13 122.6 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -68.11 127.33 32.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.19 26.66 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 56' ' ' HIS . 62.9 mt -126.29 -49.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.94 -4.52 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 63.2 47.28 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.9 m-20 -113.26 169.07 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.648 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 84.8 m95 -116.66 156.09 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 40.8 m-85 -162.39 135.32 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.523 ' N ' ' SD ' ' A' ' 27' ' ' MET . 47.1 m80 -66.52 136.34 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.62 -25.36 42.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -79.33 -28.76 42.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.43 -31.72 26.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.4 m -100.06 -29.08 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 98.45 37.59 4.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TYR . 97.7 mt -116.89 141.34 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.16 151.58 27.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 12.0 tt0 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.23 -27.74 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -90.0 -36.69 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -47.47 -55.02 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -49.31 -21.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.38 -28.46 14.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -67.88 96.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.1 t0 -58.75 -44.54 90.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 68' ' ' ILE . 26.7 mt -142.28 105.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 28' ' ' ILE . 6.7 t80 -74.35 136.99 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.4 m170 -118.61 111.29 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 15.7 p -54.43 158.06 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.77 10.48 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -109.27 -34.2 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.82 -30.4 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 30.0 tt0 -57.1 -21.04 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.2 -9.21 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -127.98 -52.09 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -74.03 -54.48 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.99 -151.46 20.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -89.5 136.68 32.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 23.4 mm -65.0 146.95 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 mtp -122.93 134.09 54.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 43.7 mttt -57.04 173.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.55 63.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.457 ' CG ' ' N ' ' A' ' 74' ' ' SER . 41.1 t-80 -150.56 167.36 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 12.0 m -37.26 -49.7 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.18 124.14 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.46 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -75.48 102.08 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -85.13 -60.11 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.496 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -172.23 151.81 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m 62.25 41.79 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.09 176.81 47.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -138.41 147.94 43.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -126.36 167.17 15.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.97 -148.53 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpp -105.21 115.15 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.51 156.28 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.755 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -126.9 113.37 16.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -41.61 124.28 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.96 64.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.9 m -86.19 152.44 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.36 -41.39 1.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.78 175.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.28 -22.71 41.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 p -82.78 14.46 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 18' ' ' ARG . 2.1 mpt_? 56.29 51.28 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -120.77 140.8 31.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -56.29 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -177.56 131.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.51 87.81 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.22 -22.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -74.87 -35.79 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -101.05 173.47 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -86.51 144.8 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 16.1 mtp -147.07 152.97 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.151 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -126.17 -178.28 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 20.7 tt0 -134.51 126.02 28.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 t -74.47 122.04 22.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -76.84 21.34 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 HD11 ' NE2' ' A' ' 56' ' ' HIS . 42.7 mt -128.84 -32.38 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.7 m -116.29 -12.82 11.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 63.02 27.68 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 3.2 m-20 -96.25 -173.4 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 80.3 m95 -136.73 137.36 39.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' N ' ' HE2' ' A' ' 27' ' ' MET . 68.6 m-85 -139.13 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -96.61 143.11 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.22 65.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -82.41 -30.85 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -79.33 -29.73 42.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 43' ' ' GLY . 4.9 m -101.91 -41.75 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.94 37.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 54.0 mt -122.63 149.3 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -115.2 150.1 36.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 27.6 tt0 -60.68 -36.0 77.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.2 pt-20 -62.19 -32.18 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.0 m120 -90.74 -30.21 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.02 -45.97 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -52.76 -22.76 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' HA ' ' NE1' ' A' ' 72' ' ' TRP . 0.8 OUTLIER -96.13 -15.84 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 49' ' ' ALA . 93.3 mt -83.36 101.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.4 t70 -69.96 -43.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.526 HG23 ' HA3' ' A' ' 31' ' ' GLY . 39.1 mt -134.94 92.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.151 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.6 t80 -63.76 144.98 56.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.512 ' NE2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -121.84 110.12 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.482 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.3 p -46.88 157.43 0.47 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.75 10.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -110.24 -30.18 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.22 -31.51 16.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.12 -23.8 22.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.21 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.03 -49.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -79.25 -47.9 15.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.75 -151.85 17.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.28 12.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 p -82.86 141.83 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 69' ' ' MET . 32.6 mm -68.59 165.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.599 ' N ' HG22 ' A' ' 68' ' ' ILE . 7.6 mtp -131.43 143.82 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 72' ' ' TRP . 19.2 mttt -64.97 -14.2 59.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.41 47.85 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.496 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 69.6 m95 -53.24 121.4 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -111.98 42.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.0 t -128.47 78.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.28 136.27 1.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.83 33.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -103.16 88.66 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 79' ' ' GLY . 35.4 p -112.97 85.18 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 78' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -151.37 169.55 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.869 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -99.2 174.06 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.69 -178.41 17.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -115.56 140.72 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -147.58 163.54 36.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.93 54.22 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.2 mmm -116.5 153.85 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.01 127.56 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.8 pt? -73.02 139.44 46.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -109.26 129.47 23.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.163 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.43 21.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 30.3 m -94.73 153.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.95 -38.45 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.6 t -67.28 173.91 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -25.13 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -72.48 -0.1 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 69.33 40.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 14.4 mm100 -119.38 148.72 46.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.6 Cg_endo -69.76 -54.37 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 40.7 t80 -176.9 165.42 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.515 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 6.4 m120 -139.57 116.53 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -67.98 -40.99 84.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.0 m120 -59.88 -54.52 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -84.55 163.42 19.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 7.7 t80 -92.94 153.91 18.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 48.1 mtp -141.46 144.19 34.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -107.55 175.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.66 ' H ' HG22 ' A' ' 28' ' ' ILE . 19.8 tt0 -127.43 121.15 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.1 128.21 35.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.19 27.86 6.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.29 -46.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.55 -6.82 13.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 62.48 46.81 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -116.4 142.61 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -95.09 143.78 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 42.4 m-85 -144.75 163.86 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 42' ' ' VAL . 44.2 m80 -88.53 129.23 35.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.05 -25.08 9.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -84.3 -33.32 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.92 -29.7 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG11 ' OH ' ' A' ' 55' ' ' TYR . 27.2 m -98.65 -35.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.16 32.52 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 97.0 mt -118.43 128.15 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -91.18 137.08 32.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.88 -38.66 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.8 pt-20 -59.95 -29.13 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.8 m120 -86.13 -33.04 20.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.08 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' VAL . 6.8 p -50.85 -16.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' C ' ' HE3' ' A' ' 70' ' ' LYS . 28.7 m-20 -105.22 -20.06 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.99 95.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 12.9 t0 -56.52 -45.15 81.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.0 mt -138.87 103.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.478 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.9 t80 -73.82 137.65 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 34.7 m170 -118.04 113.79 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -56.85 157.42 10.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.1 Cg_endo -69.85 11.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.28 -31.33 7.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.4 m -92.01 -32.01 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -54.11 -25.15 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -0.29 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.02 -48.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.94 -48.77 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.76 -150.46 19.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 177.78 5.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -93.98 134.53 36.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.84 153.4 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.6 mtp -127.67 135.94 50.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' CD ' ' HE1' ' A' ' 72' ' ' TRP . 14.7 mttt -66.86 157.43 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.57 52.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.523 ' HE1' ' CD ' ' A' ' 70' ' ' LYS . 51.4 p-90 -135.02 -33.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.458 ' N ' ' CE3' ' A' ' 72' ' ' TRP . 7.4 t-160 -48.28 171.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.422 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 40.3 m -93.19 42.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.52 138.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.8 Cg_endo -69.78 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.346 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' PRO . 35.2 m -34.38 134.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -121.98 -61.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p 45.32 42.06 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -69.15 169.19 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.89 -134.06 7.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -163.64 162.97 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -96.83 147.06 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.94 161.16 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' ALA . 7.7 ttt -135.76 141.53 44.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -35.51 128.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.2 pt? -123.68 135.54 53.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG23 ' HD2' ' A' ' 12' ' ' PRO . 2.7 p -75.66 137.02 70.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 111.145 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.3 m -86.43 157.13 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -132.71 -35.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.92 -178.75 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.31 -14.53 38.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -86.38 8.89 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' O ' HG11 ' A' ' 13' ' ' VAL . 10.4 mpt_? 61.49 43.83 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' C ' HG12 ' A' ' 13' ' ' VAL . 16.6 mm100 -119.83 144.36 37.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HB3' HG13 ' A' ' 11' ' ' VAL . 53.4 Cg_endo -69.79 -56.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.624 ' CE1' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -178.53 116.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.1 m-20 -106.28 70.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.624 HG22 ' CE1' ' A' ' 21' ' ' TYR . 83.4 t -51.16 -32.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -48.0 -21.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -113.49 -81.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 12.7 t80 179.77 157.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 19.2 mtp -165.62 158.2 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.634 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -134.85 -174.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -136.06 132.6 36.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.74 126.07 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.68 27.96 3.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 64' ' ' PHE . 67.2 mt -128.29 -48.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.44 -4.03 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.33 47.05 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.83 154.12 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.3 m95 -109.55 141.79 41.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' A' ' 27' ' ' MET . 52.3 m-85 -142.64 174.67 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.3 m80 -101.29 157.84 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.04 -29.13 67.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -84.11 -28.83 27.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.8 -31.06 45.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 2.6 m -106.05 -45.24 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 116.08 42.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 94.9 mt -128.55 120.16 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.86 151.34 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 30.5 tt0 -58.87 -42.37 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.54 -28.17 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -91.61 -26.98 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -54.02 -40.83 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 50' ' ' VAL . 8.5 p -62.74 -8.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -109.78 -2.55 17.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mt -95.53 93.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.9 t70 -58.9 -39.1 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.8 mt -145.31 105.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.634 ' CE2' HD13 ' A' ' 28' ' ' ILE . 25.0 t80 -76.8 142.1 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -121.27 108.36 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -51.59 156.51 2.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.74 7.73 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -108.63 -25.02 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.406 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.0 m -98.0 -30.75 12.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.74 -26.87 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.3 -5.82 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.1 -51.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' HD13 ' A' ' 32' ' ' LEU . 53.2 m-85 -75.43 -48.37 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.17 -153.24 19.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.2 9.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.13 145.53 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 69' ' ' MET . 17.7 mm -78.33 161.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.473 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.6 mtp -133.07 137.62 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.2 mttt -57.22 176.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' HB3' ' CA ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -134.03 63.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -61.91 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 74' ' ' SER . 19.0 p-80 -131.27 -53.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 12.6 p -41.0 -52.75 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' CA ' ' HB3' ' A' ' 71' ' ' ASN . . . 95.69 -146.44 18.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 84.69 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.9 p -148.87 161.14 42.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 m -101.92 112.68 25.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.492 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 1' ' ' GLY . 90.2 p 32.68 45.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -129.42 143.61 50.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.28 135.22 2.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 p -151.23 148.51 28.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -116.55 -48.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.83 61.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -129.36 176.13 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.733 0.301 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.63 132.9 54.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -118.66 116.18 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.07 131.39 91.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.67 7.8 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.515 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.8 m -102.98 157.85 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -134.95 -44.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.54 175.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.46 -27.14 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.9 p -68.7 -2.37 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' HG11 ' A' ' 13' ' ' VAL . 15.1 mmt180 69.41 39.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.515 ' C ' HG12 ' A' ' 13' ' ' VAL . 13.5 mm100 -117.56 152.42 49.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.81 -56.01 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -178.11 142.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.608 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 1.8 t-20 -113.18 160.92 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -112.36 -27.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -78.3 -23.22 47.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.41 112.18 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 28' ' ' ILE . 4.4 t80 -41.09 151.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.564 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 mtp -131.94 137.74 48.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -108.45 173.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' ILE . 44.8 tt0 -127.39 120.74 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 46.3 t -68.55 128.51 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -90.06 21.94 28.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -123.39 -43.54 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.64 -4.73 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 62.14 46.08 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.06 177.15 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -128.48 137.9 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.15 163.55 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 42' ' ' VAL . 51.7 m80 -89.56 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -59.58 -17.2 40.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 m -89.91 -39.13 13.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.9 m -72.64 -32.25 65.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 38' ' ' HIS . 24.9 m -94.63 -28.73 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.8 32.19 6.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.0 124.69 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.39 151.86 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -40.96 97.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.64 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.38 -29.48 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -52.75 -52.47 56.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 2.5 p -49.9 -17.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.38 -23.58 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.3 101.64 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.4 t0 -62.99 -46.21 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.535 HG23 ' HA3' ' A' ' 31' ' ' GLY . 31.3 mt -134.35 96.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.466 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.1 t80 -67.93 132.91 48.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.412 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 30.1 m170 -111.43 110.83 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.14 156.48 7.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 8.88 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.51 -25.74 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.34 -31.29 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.25 -19.6 14.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.7 -1.73 32.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.98 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -81.55 -49.31 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.31 -151.9 19.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.8 Cg_endo -69.77 172.8 11.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 m -89.2 133.42 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 28.5 mm -63.48 158.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.1 mtp -124.26 140.33 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 77.6 mttt -59.73 172.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -134.32 50.58 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.458 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 48.2 p-90 -156.25 154.64 31.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -158.35 107.48 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -85.77 -37.01 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.71 140.71 15.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 82.75 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 t -84.99 78.85 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.8 p -90.31 164.66 14.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.485 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.806 0.252 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.6 m -88.55 141.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -117.98 -43.58 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.4 t -59.1 172.44 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.77 -21.26 48.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -85.05 23.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 3.4 mpt_? 47.95 49.32 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 55.3 mm-40 -124.14 143.44 42.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -176.7 155.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' NE2' ' A' ' 38' ' ' HIS . 2.7 m120 -133.6 110.72 10.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 24' ' ' ASN . 84.8 t -61.07 -63.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' VAL . 12.0 m-80 -34.36 -46.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.54 165.19 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 28' ' ' ILE . 3.2 t80 -95.91 148.41 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 37.6 mtp -131.71 140.18 49.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.22 167.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -119.53 120.68 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.85 127.58 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.01 24.7 8.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.28 -47.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -6.08 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 62.87 46.77 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -114.65 147.15 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -98.78 143.05 29.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 78.5 m-85 -144.91 161.92 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 m80 -85.65 127.7 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -48.98 -26.47 5.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.41 -36.28 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -72.25 -27.64 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG11 ' OH ' ' A' ' 55' ' ' TYR . 28.1 m -100.19 -38.09 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.37 32.37 3.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.1 mt -118.92 120.49 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -78.81 136.88 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.75 -39.57 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.54 -24.69 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -93.62 -30.51 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.35 -46.87 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.01 -20.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -96.87 -23.93 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' ALA . 87.1 mt -73.73 99.85 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.466 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -62.07 -45.45 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.2 mt -134.93 95.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -67.4 134.75 52.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 32.7 m170 -114.5 112.04 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.63 156.94 8.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.78 8.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -109.92 -25.55 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.6 m -98.39 -31.38 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.03 -22.86 17.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.86 -1.26 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.94 -44.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -84.16 -48.74 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.29 -156.07 21.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.26 9.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.9 p -84.37 134.63 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 69' ' ' MET . 22.1 mm -67.44 157.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.5 mtp -125.85 141.42 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.466 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 58.4 mttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.863 0.276 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -91.61 145.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -121.31 -37.41 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.82 176.28 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -84.11 -24.31 30.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 2.4 p -73.27 0.04 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 14.2 mmt180 70.59 40.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 39.9 mm-40 -117.36 144.8 34.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.75 -54.46 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -176.96 156.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.6 117.7 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -71.8 -44.45 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' N ' HG13 ' A' ' 23' ' ' VAL . 3.8 m-80 -65.58 -37.56 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.68 138.98 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.21 150.77 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mtp -150.28 153.34 35.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.679 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -129.87 176.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 50.3 tt0 -128.53 128.62 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 t -73.1 122.38 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.439 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -82.15 27.38 3.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 64' ' ' PHE . 93.9 mt -128.68 -45.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.84 -6.43 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.5 51.56 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 8.4 m-20 -112.04 -174.06 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -138.16 136.89 37.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -142.95 172.25 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.763 ' O ' HG22 ' A' ' 42' ' ' VAL . 39.8 m80 -99.46 156.53 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -70.76 -30.87 67.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -80.05 -23.23 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 38' ' ' HIS . 13.8 m -101.99 -29.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 97.99 39.3 3.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.553 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 95.2 mt -122.96 150.53 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -118.9 143.86 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.88 -39.18 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.46 -29.15 69.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -89.03 -34.04 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -48.21 -53.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -50.36 -18.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -101.0 -26.86 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 49' ' ' ALA . 79.4 mt -70.12 93.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -54.63 -39.25 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.439 HG23 ' HA3' ' A' ' 31' ' ' GLY . 24.2 mt -149.03 105.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.679 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.9 t80 -74.66 137.14 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -117.09 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.0 p -55.6 156.42 8.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.72 6.03 1.45 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -105.82 -25.78 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -98.18 -31.96 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.66 -24.28 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.1 -2.09 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.9 t -134.98 -47.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CG ' HD13 ' A' ' 32' ' ' LEU . 38.4 m-85 -80.01 -50.01 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.2 -157.4 22.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 173.53 10.85 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.634 2.222 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' MET . 24.6 mm -69.73 157.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 68' ' ' ILE . 23.0 mtp -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 58.3 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.816 0.257 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.0 m -91.19 159.09 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.43 -49.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.9 t -62.01 171.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.8 -20.55 59.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m -77.86 9.31 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' O ' HG11 ' A' ' 13' ' ' VAL . 3.3 mpt_? 56.4 38.65 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -113.35 147.39 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.8 Cg_endo -69.76 -53.68 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.461 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 80.9 t80 -176.99 150.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -124.54 94.57 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.3 p -53.17 -40.8 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.7 m120 -59.2 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -83.02 165.42 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HG13 ' A' ' 28' ' ' ILE . 1.4 t80 -89.33 146.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.513 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 53.0 mtp -141.24 146.96 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.5 -178.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.694 ' H ' HG22 ' A' ' 28' ' ' ILE . 20.8 tt0 -134.21 115.79 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.27 130.24 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.72 20.87 25.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 64' ' ' PHE . 85.9 mt -121.02 -47.0 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.08 4.69 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 52.28 47.88 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.85 146.15 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 77.8 m95 -99.68 148.31 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 65.7 m-85 -148.16 163.55 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -85.2 122.02 28.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -45.84 -19.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -83.99 -40.83 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -71.51 -31.53 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG11 ' OH ' ' A' ' 55' ' ' TYR . 23.9 m -96.17 -36.66 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.12 38.64 3.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 89.4 mt -129.0 116.7 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.32 150.4 27.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 50.0 tt0 -57.38 -34.0 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.94 -24.28 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.79 -32.42 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.56 -52.24 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -45.03 -22.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -25.51 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' ALA . 81.5 mt -75.5 98.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.8 t0 -59.52 -47.7 84.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.04 99.04 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.626 ' OH ' HG11 ' A' ' 42' ' ' VAL . 2.0 t80 -70.24 137.69 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.473 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 23.5 m170 -118.04 111.86 19.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.473 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.1 p -55.32 157.14 6.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.71 5.53 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.24 -25.32 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.437 ' CB ' HD12 ' A' ' 32' ' ' LEU . 67.6 m -98.96 -33.43 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 7.0 tt0 -52.69 -29.7 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.87 0.62 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -135.01 -46.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 32' ' ' LEU . 43.8 m-85 -84.5 -48.3 9.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.56 -152.35 19.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.63 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.1 p -93.93 137.32 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.21 153.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -121.18 145.22 48.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.9 mttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.795 0.248 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' C ' ' A' ' 18' ' ' ARG . 26.7 m -79.28 165.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -129.29 -48.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.5 t -62.23 171.91 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.8 -21.52 55.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.4 p -82.21 15.62 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.561 ' C ' HG11 ' A' ' 13' ' ' VAL . 1.4 mpt_? 56.08 52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 82.9 mm-40 -127.69 140.72 38.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.626 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.73 -59.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -171.61 151.53 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -136.13 123.1 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -74.9 -23.6 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -71.6 -62.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -86.24 120.34 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 5.9 t80 -47.1 144.14 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.8 mtp -136.57 130.86 33.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -90.75 -179.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 28' ' ' ILE . 24.1 tt0 -129.03 119.92 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 40.9 t -75.85 119.9 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.17 30.11 3.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -129.55 -47.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.56 -4.71 14.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 62.75 40.98 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -118.69 132.97 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' ILE . 52.8 m95 -86.65 143.09 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 28' ' ' ILE . 28.4 m-85 -135.24 152.18 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.7 m80 -76.77 121.04 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.92 -20.46 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 31.4 p -85.03 -42.66 14.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.57 -29.47 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.51 HG11 ' OH ' ' A' ' 55' ' ' TYR . 20.9 m -100.46 -39.74 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 105.96 37.3 2.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.2 mt -123.06 123.65 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.16 152.24 24.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.27 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 50' ' ' VAL . 8.5 pt-20 -65.12 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -89.43 -31.28 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 47' ' ' GLU . 11.6 p -51.34 -22.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -99.09 -18.88 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.6 mt -78.96 94.28 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' SER . 37.9 mt -139.56 106.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -78.93 136.49 37.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.51 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 36.0 m170 -117.99 111.85 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.8 p -54.84 156.47 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.75 7.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.7 m -98.46 -31.24 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.39 -21.76 16.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -2.1 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 t -134.95 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -82.75 -49.66 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.86 -155.11 20.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.6 Cg_endo -69.77 176.5 6.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' ILE . 99.7 p -92.06 139.98 30.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 mm -70.5 151.37 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 mtp -123.18 136.5 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.5 mttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.803 0.251 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 34.2 m -99.09 149.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -125.53 -42.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.66 175.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.81 -22.29 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.51 23.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.5 mpt_? 46.32 50.4 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.0 mm-40 -122.33 143.46 39.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.77 -54.58 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -177.74 139.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' HIS . 87.9 m-20 -118.53 94.68 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 24' ' ' ASN . 8.2 p -48.99 -43.27 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.457 ' N ' HG13 ' A' ' 23' ' ' VAL . 11.5 m-80 -50.69 -54.6 21.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' ASN . 19.9 m170 -90.71 154.8 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' HG13 ' A' ' 28' ' ' ILE . 6.9 t80 -79.81 152.52 29.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.486 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 44.7 mtp -136.91 142.23 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.09 174.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' H ' HG22 ' A' ' 28' ' ' ILE . 55.3 tt0 -127.11 121.42 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.92 127.45 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.18 22.04 17.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' CE1' ' A' ' 56' ' ' HIS . 58.8 mt -124.89 -43.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.6 p -113.26 -6.49 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 61.51 47.94 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.7 160.71 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -112.36 136.78 51.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -135.72 172.25 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -97.29 123.95 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.46 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -45.83 -25.73 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 m -85.05 -41.15 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.82 -29.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.0 m -97.55 -41.1 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 110.82 31.51 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.8 mt -119.29 125.03 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.04 148.52 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -34.01 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.41 -32.76 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -86.09 -31.92 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.91 -56.39 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -48.11 -20.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.68 -24.63 15.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.22 100.33 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -59.94 -48.14 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.72 98.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.5 t80 -70.89 135.09 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.538 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.6 m170 -115.89 111.5 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.6 p -54.09 157.02 4.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.78 6.12 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -104.79 -27.74 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.21 -30.31 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 15.7 tt0 -55.89 -25.84 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.91 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.4 -52.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -76.62 -50.39 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 129.53 -148.49 18.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.84 175.33 8.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -96.55 141.32 29.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 69' ' ' MET . 22.3 mm -67.55 156.82 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 68' ' ' ILE . 24.8 mtp -128.18 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 42.5 mttt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.851 0.271 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.6 m -92.11 157.96 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -133.07 -62.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.5 t -46.98 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.65 -23.21 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -69.84 -5.92 28.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.532 ' O ' HG11 ' A' ' 13' ' ' VAL . 19.6 mmt180 70.32 39.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.9 mm-40 -118.32 151.04 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 69.7 t80 -176.7 145.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -118.28 91.96 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.6 p -54.76 -23.53 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -78.03 -40.23 39.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -96.48 158.57 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -77.48 150.74 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 14.1 mtp -147.84 157.38 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.872 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -128.64 -179.19 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -131.52 128.74 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.3 t -79.21 126.27 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.3 20.95 5.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.627 HD11 ' CE1' ' A' ' 56' ' ' HIS . 73.1 mt -126.75 -36.36 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 11.0 m -114.98 -13.09 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 65.35 25.0 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 4.8 m-20 -96.16 177.77 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 84.1 m95 -125.42 151.08 46.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 71.4 m-85 -151.07 162.23 41.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.9 m80 -85.03 137.82 32.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.41 -20.18 54.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -85.19 -34.66 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.7 m -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.5 m -97.23 -38.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 107.66 37.34 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 95.9 mt -124.39 137.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -99.44 156.4 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 63.8 tt0 -64.3 -39.22 93.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.55 -24.96 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.08 -32.85 16.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.41 -50.48 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -51.43 -23.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -96.43 -16.99 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -83.06 104.69 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.1 t70 -69.89 -47.85 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.441 HG23 ' HA3' ' A' ' 31' ' ' GLY . 19.9 mt -134.96 98.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.1 t80 -69.61 144.11 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 32' ' ' LEU . 5.7 m170 -120.2 109.33 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.82 157.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.1 Cg_endo -69.66 6.71 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -107.64 -25.34 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.477 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.7 m -92.82 -34.15 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 45.1 tt0 -57.02 -17.57 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.0 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.95 -50.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -72.81 -49.02 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 126.08 -149.46 17.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.84 169.91 17.9 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.309 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.68 152.67 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 69' ' ' MET . 25.1 mm -75.34 160.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.477 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.7 mtp -134.81 134.33 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 52.8 mttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.785 0.244 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.7 m -90.71 155.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 2.0 m-85 -133.15 -58.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 10.0 t -53.36 171.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.14 -20.84 61.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.34 6.56 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.799 ' O ' HG11 ' A' ' 13' ' ' VAL . 10.5 mpt_? 56.22 36.76 28.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.458 ' C ' HG12 ' A' ' 13' ' ' VAL . 30.8 mm-40 -110.73 150.91 42.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.1 Cg_endo -69.69 -53.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -175.99 149.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -123.07 122.09 37.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.2 p -77.9 -40.65 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 73.4 m-80 -63.58 -40.3 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -95.56 154.58 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 17.2 t80 -81.77 154.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.567 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 13.5 mmm -143.03 158.83 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.601 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -134.09 174.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 28' ' ' ILE . 31.8 tt0 -124.42 127.68 47.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -77.39 124.04 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.514 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.44 21.08 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 56' ' ' HIS . 59.0 mt -125.86 -38.28 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 13.0 m -112.58 -9.84 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 63.02 26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 2.1 m-20 -101.62 -173.91 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.548 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 76.4 m95 -130.42 158.78 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 73.9 m-85 -162.03 139.95 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 38.5 m80 -60.7 124.92 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.559 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -52.34 -14.53 2.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 p -88.59 -45.68 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.65 -23.12 65.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 55' ' ' TYR . 21.5 m -97.66 -40.62 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 112.49 24.63 4.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.583 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 82.7 mt -117.92 134.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.84 157.35 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.8 -33.14 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.5 -18.59 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -92.7 -34.76 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -48.87 -53.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.65 -24.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.65 -24.22 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 83.6 mt -76.51 98.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.0 t0 -61.62 -45.69 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.514 HG23 ' HA3' ' A' ' 31' ' ' GLY . 28.2 mt -134.92 95.31 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 2.7 t80 -64.88 139.37 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.664 ' CE1' HD11 ' A' ' 32' ' ' LEU . 7.0 m170 -115.43 109.83 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.88 158.44 0.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.73 7.07 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.36 -24.61 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' HD12 ' A' ' 32' ' ' LEU . 80.9 m -94.14 -31.3 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.9 tt0 -59.6 -10.84 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.05 -11.54 55.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.01 -50.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -73.73 -54.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 131.75 -149.74 19.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 169.57 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 p -85.14 139.69 31.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 69' ' ' MET . 25.8 mm -66.42 156.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.169 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' HG22 ' A' ' 68' ' ' ILE . 25.0 mtp -126.06 147.79 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 60.7 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.83 0.263 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 29.2 m -77.18 156.36 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.547 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 3.9 m-85 -132.28 -49.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 8.3 t -62.82 170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.98 -25.73 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 m -66.79 -8.99 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 8.5 mmt85 73.25 38.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 38.7 mm-40 -115.73 149.32 42.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -53.98 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -176.58 157.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -136.63 104.22 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.15 -27.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -80.06 -38.81 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -94.34 123.01 37.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -48.26 148.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.5 mtp -151.54 149.85 29.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.752 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -123.52 177.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 30.5 tt0 -130.41 132.29 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -75.34 123.07 24.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.585 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -81.62 25.38 3.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 56' ' ' HIS . 66.9 mt -126.18 -46.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.08 -2.69 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 59.84 49.57 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 10.8 m-20 -107.2 -173.71 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.495 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 75.8 m95 -141.34 145.54 35.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 37.7 m-85 -154.73 167.79 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -92.49 135.3 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.37 -20.16 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -85.75 -23.36 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.82 -29.61 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.6 m -97.48 -35.81 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.92 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 91.5 mt -124.92 143.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -112.1 146.4 38.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.34 -40.38 61.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -86.47 -27.62 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.07 -50.47 58.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.08 -17.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -99.02 -18.12 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.9 mt -83.77 98.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.483 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.7 t0 -64.39 -48.05 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.585 HG23 ' HA3' ' A' ' 31' ' ' GLY . 25.6 mt -134.77 96.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.752 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.6 t80 -67.7 142.05 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 66' ' ' PRO . 34.2 m170 -119.01 112.87 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -56.41 156.41 11.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.77 6.73 1.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.32 -25.92 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.9 m -96.97 -34.13 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.17 -25.57 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -2.45 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -135.06 -50.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -76.14 -47.41 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.37 -150.09 17.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 54.1 Cg_endo -69.77 173.73 10.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -92.81 144.65 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 69' ' ' MET . 23.4 mm -71.06 158.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.471 ' N ' HG22 ' A' ' 68' ' ' ILE . 13.3 mtp -127.73 140.72 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 76.8 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.851 0.271 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -89.98 138.68 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -115.88 -42.12 3.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.8 t -64.1 175.32 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mt -83.15 -17.18 43.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 20.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.6 mpt_? 48.57 47.19 20.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.3 mm-40 -121.26 147.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.73 -53.34 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t80 -176.65 142.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.702 ' ND2' ' CE1' ' A' ' 38' ' ' HIS . 1.2 m-80 -91.8 141.29 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.511 HG12 ' ND2' ' A' ' 24' ' ' ASN . 2.1 t -90.24 116.24 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.511 ' ND2' HG12 ' A' ' 23' ' ' VAL . 70.3 m-20 72.68 47.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 22' ' ' ASN . 11.4 m170 -145.85 131.76 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' HE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -43.01 142.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.0 mtp -158.71 127.07 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.688 HD13 ' CE2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -108.32 175.57 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 7.0 tm-20 -131.53 120.83 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 t -63.36 128.1 34.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 25.0 8.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 64' ' ' PHE . 93.2 mt -124.47 -46.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.04 -5.31 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 63.26 49.31 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -117.75 160.13 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m95 -112.76 147.3 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 43.7 m-85 -151.25 160.55 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.702 ' CE1' ' ND2' ' A' ' 22' ' ' ASN . 40.2 m80 -84.0 163.0 20.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.0 -25.12 62.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -85.64 -32.89 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 m -73.51 -37.21 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 4.8 m -97.34 -41.53 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 109.67 40.1 1.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 85.2 mt -126.35 127.11 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -92.88 158.5 15.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -37.26 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.57 -32.97 69.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -85.45 -38.47 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.53 -55.36 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 p -47.8 -23.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.08 -28.51 13.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.6 mt -67.3 97.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.1 t0 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -143.69 105.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.688 ' CE2' HD13 ' A' ' 28' ' ' ILE . 10.1 t80 -74.41 135.72 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -118.45 107.67 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.37 156.82 2.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.78 7.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -28.56 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.21 -33.67 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.86 -20.47 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.43 -4.06 34.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.87 -48.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.1 m-85 -75.78 -49.12 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.47 -153.94 20.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.63 12.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -89.61 139.62 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 69' ' ' MET . 20.8 mm -68.98 158.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.446 ' N ' HG22 ' A' ' 68' ' ' ILE . 21.4 mtp -134.92 136.09 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 50.6 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.832 0.263 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.4 m -89.76 148.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.06 -32.8 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -74.84 176.59 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -82.71 -28.14 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 1.9 p -68.44 -4.93 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.6 mmt180 73.92 44.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.0 mm-40 -118.94 145.95 39.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.7 Cg_endo -69.78 -54.9 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 72.7 t80 -176.8 168.32 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 8.0 m120 -155.32 106.11 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.28 -29.67 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -71.25 -37.39 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -100.12 132.56 45.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -49.95 155.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.7 mtp -161.17 144.01 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -120.56 179.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -130.6 130.05 43.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.9 t -75.52 130.96 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.33 26.07 7.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.1 mt -126.5 -49.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.35 -4.97 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 62.46 44.77 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -111.39 135.9 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -89.94 142.27 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -141.37 170.4 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.745 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.1 m80 -94.79 153.97 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 -24.8 76.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -85.09 -30.58 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.822 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.4 m -80.09 -28.45 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.3 m -104.22 -37.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.97 37.7 2.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 92.6 mt -122.58 139.65 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.55 149.12 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -55.94 -43.12 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -64.24 -20.53 66.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -95.36 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -61.13 -41.18 96.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.4 p -59.05 -13.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.63 -8.94 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 49' ' ' ALA . 89.5 mt -91.72 100.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.43 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.5 t70 -62.58 -48.79 77.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.0 mt -134.37 98.42 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 28' ' ' ILE . 14.9 t80 -69.76 139.88 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -118.34 109.49 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.79 156.07 3.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.74 8.81 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -28.32 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.535 ' CB ' HD12 ' A' ' 32' ' ' LEU . 81.9 m -94.18 -33.47 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.9 -24.19 22.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.6 -3.13 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.01 -51.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.478 ' CD1' HD13 ' A' ' 32' ' ' LEU . 50.0 m-85 -74.7 -46.51 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 125.23 -150.49 17.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.7 Cg_endo -69.77 169.7 18.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 p -90.79 144.97 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 19.4 mm -77.43 147.44 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 75.2 mmm -113.72 156.79 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 71.9 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.85 0.271 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.8 m -98.27 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.75 -43.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.0 171.21 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.54 -27.09 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -70.17 -3.52 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 13.5 mmt180 70.91 43.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 50.7 mm-40 -120.44 149.3 49.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.78 -53.49 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -176.68 153.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB2' ' NE2' ' A' ' 38' ' ' HIS . 4.4 m-20 -138.6 106.75 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.9 -30.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -67.15 -50.6 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -94.58 108.94 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 28' ' ' ILE . 13.8 t80 -40.39 156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.527 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 25.7 mtp -140.9 146.33 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -114.42 178.29 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.4 tm-20 -131.0 121.1 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -71.83 126.3 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.94 24.45 3.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.519 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.2 mt -131.21 -36.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 21.1 m -112.36 -12.06 13.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 28.67 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.73 -173.87 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -134.5 139.98 45.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' N ' ' HE2' ' A' ' 27' ' ' MET . 13.6 m-85 -144.11 157.26 44.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 42.2 m80 -81.66 134.75 35.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.6 -23.79 29.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -83.18 -35.37 25.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -74.91 -27.45 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.2 m -102.15 -39.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 108.91 35.15 2.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 96.3 mt -121.49 118.43 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.0 137.42 38.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -37.37 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 50' ' ' VAL . 3.0 pt-20 -64.6 -25.79 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -91.41 -27.61 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.73 -43.22 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.6 p -55.18 -13.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.73 -18.03 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.498 HG12 ' CE ' ' A' ' 69' ' ' MET . 67.4 mt -85.95 98.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CB ' ' HG2' ' A' ' 70' ' ' LYS . 7.9 t0 -63.39 -43.63 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.544 HG23 ' HA3' ' A' ' 31' ' ' GLY . 27.1 mt -134.93 89.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.589 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 3.7 t80 -62.3 143.04 57.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.5 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 17.7 m170 -120.31 113.74 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -51.12 157.4 1.51 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 52.7 Cg_endo -69.82 8.2 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -109.77 -24.62 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.6 m -94.9 -30.52 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 34.5 tt0 -58.56 -19.15 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.64 -5.84 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.33 -51.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -74.51 -49.81 20.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.31 -150.85 18.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 172.35 12.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.3 p -88.44 140.35 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.8 mm -65.66 154.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.4 mmt -115.79 148.02 40.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HG2' ' CB ' ' A' ' 53' ' ' ASP . 68.4 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.835 0.265 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -90.18 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.03 -44.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.5 t -61.25 174.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 -14.85 48.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 6.1 p -84.55 7.82 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.507 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.4 mpt_? 62.61 45.43 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.2 mm-40 -118.81 144.46 35.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.79 -57.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -177.93 144.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -116.69 111.8 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.53 ' O ' HG22 ' A' ' 23' ' ' VAL . 8.6 p -82.44 6.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -106.65 -23.39 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.08 176.68 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -84.94 149.98 25.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mtp -151.62 153.33 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.7 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.54 -175.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.9 tt0 -139.65 122.79 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.8 125.73 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.42 24.18 6.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.83 -47.61 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.8 p -115.32 -3.07 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.64 43.51 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -114.4 128.92 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 57.7 m95 -84.58 155.93 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 68.6 m-85 -153.36 172.61 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 42' ' ' VAL . 32.2 m80 -98.63 141.89 30.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.2 -30.81 61.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 p -83.06 -22.06 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -86.6 -28.77 23.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.8 m -108.1 -27.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.1 41.84 3.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.548 HD11 ' CD1' ' A' ' 55' ' ' TYR . 78.4 mt -123.59 145.12 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -110.05 153.57 24.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.62 -52.08 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 50' ' ' VAL . 4.7 pm0 -54.82 -28.15 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.46 -36.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -52.6 -50.88 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 47' ' ' GLU . 12.6 p -46.9 -22.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 50' ' ' VAL . 5.1 m-20 -100.34 -21.68 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.87 96.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.3 t0 -60.67 -42.1 96.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.22 106.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.0 t80 -75.16 135.79 41.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -116.35 108.86 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -53.01 157.01 3.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.77 8.05 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.46 -27.24 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -94.53 -33.13 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -56.49 -19.43 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -6.33 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 -48.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -76.39 -49.81 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.76 -152.8 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.06 13.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -87.54 148.6 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 69' ' ' MET . 20.5 mm -77.06 156.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.401 ' N ' HG22 ' A' ' 68' ' ' ILE . 17.6 mtp -129.66 139.86 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 29.7 mttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.843 0.268 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -70.08 162.37 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' O ' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -121.53 -40.37 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.4 t -72.58 173.72 8.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.22 -26.19 33.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' C ' ' HG2' ' A' ' 18' ' ' ARG . 3.9 p -67.53 -2.92 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 mmt85 74.97 46.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 72.0 mm-40 -130.94 148.39 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.8 -60.34 0.07 OUTLIER 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 15.6 t80 -176.85 160.51 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 52.9 m-20 -130.78 125.33 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.96 -25.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -92.87 22.1 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -152.89 157.8 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 1.3 t80 -74.03 142.76 45.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.579 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 8.1 mtp -155.49 135.19 12.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.981 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -103.4 -173.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 43.2 tt0 -140.92 124.25 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 t -74.27 121.3 21.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 22.11 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 56' ' ' HIS . 43.0 mt -128.21 -32.91 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 28.5 m -117.64 -10.06 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 62.94 25.03 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -104.06 149.86 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 64.1 m95 -102.65 150.79 23.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 10.5 m-85 -145.1 165.14 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.56 134.47 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -53.59 -25.51 28.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 p -79.18 -37.24 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.1 m -75.5 -30.54 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.0 m -100.56 -48.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.592 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 119.01 39.37 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 55' ' ' TYR . 76.1 mt -119.95 147.57 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -116.74 143.86 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 26.7 tt0 -54.27 -27.45 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.98 -27.74 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -93.81 -31.68 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -57.4 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.43 -18.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.73 -13.49 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.542 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 97.1 mt -81.02 102.4 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.5 t0 -68.07 -46.12 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.4 mt -135.02 99.25 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.981 ' CE2' HD13 ' A' ' 28' ' ' ILE . 11.2 t80 -70.23 142.63 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 32' ' ' LEU . 17.4 m170 -121.53 108.69 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.9 p -45.53 157.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 7.24 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.81 -26.69 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 72.9 m -91.47 -31.93 15.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 36.5 tt0 -58.02 -16.53 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.84 -4.7 53.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.04 -51.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.07 -49.3 37.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.83 -151.45 18.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 170.55 16.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -82.77 158.49 22.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.6 mm -89.0 153.6 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.542 ' HE2' ' HA ' ' A' ' 52' ' ' ILE . 7.1 mmt -116.78 151.64 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.4 mttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 CA-C-O 120.798 0.249 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.3 m -84.57 154.26 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 7.4 m-85 -129.94 -68.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 22.5 t -43.78 166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -25.98 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.16 -13.63 58.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.5 mmt85 74.95 41.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.9 mm-40 -116.94 150.98 46.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -56.77 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -176.22 147.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -132.92 86.64 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.23 -24.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.7 144.14 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 9.5 mmm -147.65 148.49 31.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.13 -175.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 57.3 tt0 -133.97 137.19 44.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.2 t -82.75 126.65 32.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -80.68 21.15 5.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 60' ' ' CYS . 33.7 mt -125.57 -36.64 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 4.5 m -115.77 -8.12 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 62.51 24.98 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 40.0 m-20 -98.52 -173.65 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 66.7 m95 -131.72 160.99 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 36' ' ' TRP . 80.4 m-85 -162.52 135.22 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.9 m170 -57.85 135.14 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 26' ' ' PHE . . . -63.0 -16.56 57.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.2 m -87.15 -26.13 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.7 m -89.05 -23.51 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.2 m -102.14 -28.93 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.14 40.2 3.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 76.7 mt -127.16 128.98 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -95.46 162.23 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 40.2 tt0 -67.6 -36.77 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -62.7 -25.67 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -90.05 -34.95 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.31 -51.53 14.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' OD1' ' A' ' 51' ' ' ASP . 11.7 p -51.04 -25.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' OD1' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -96.28 -15.05 22.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -85.16 95.18 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.6 t0 -62.21 -48.06 81.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.435 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.9 mt -135.2 100.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.641 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 18.3 t80 -69.78 143.74 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.56 107.47 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.1 p -46.78 158.62 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.11 -24.59 11.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.553 ' HB3' HD12 ' A' ' 32' ' ' LEU . 97.3 m -92.99 -32.64 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 35.6 tt0 -59.05 -10.79 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.58 59.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.42 -47.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -76.63 -52.28 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 130.08 -150.82 19.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.28 24.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -84.67 140.89 31.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 69' ' ' MET . 25.7 mm -67.98 160.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' HG22 ' A' ' 68' ' ' ILE . 5.6 mtp -127.37 147.89 50.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 75.7 mttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.881 0.284 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 18' ' ' ARG . 31.6 m -88.24 129.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 1.8 m-85 -103.31 -56.34 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.4 t -47.01 174.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.78 -17.88 46.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 9.0 p -85.37 12.5 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' O ' HG11 ' A' ' 13' ' ' VAL . 2.1 mpt_? 58.82 50.62 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 21.5 mm-40 -118.84 143.3 33.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -57.05 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -177.11 143.22 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -134.27 85.9 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 24' ' ' ASN . 10.9 p -44.32 -45.74 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 23' ' ' VAL . 2.3 m120 -58.87 -31.04 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -99.78 115.05 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -44.65 145.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.5 mtp -147.4 161.73 40.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.989 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.77 -179.05 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 9.2 tm-20 -131.57 127.12 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 t -75.32 126.5 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.75 24.0 3.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 60' ' ' CYS . 64.4 mt -130.25 -36.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 6.5 m -117.26 -9.29 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 61.46 25.36 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 98.2 m-20 -93.35 169.95 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.5 m95 -119.56 149.83 41.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -152.5 164.48 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -89.37 144.39 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.82 67.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -82.93 -32.7 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.6 m -74.73 -34.2 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 43' ' ' GLY . 6.3 m -99.49 -43.17 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.17 43.99 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 64.7 mt -127.38 130.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 7.9 mm-40 -95.67 160.58 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 2.7 tm-20 -67.41 -39.9 85.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.85 -27.86 65.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 45' ' ' GLU . 17.3 m-20 -88.95 -37.54 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -46.52 -53.97 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 p -49.12 -23.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.18 -18.78 18.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.2 mt -79.83 98.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -64.81 -47.36 78.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.485 HG23 ' HA3' ' A' ' 31' ' ' GLY . 23.1 mt -135.04 97.94 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.989 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.1 t80 -67.85 143.27 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -120.45 112.03 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -49.65 157.8 0.94 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.75 5.79 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.22 -24.55 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.592 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.6 m -93.38 -32.8 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.8 tt0 -59.72 -10.11 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.97 -7.08 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.9 t -133.97 -47.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.93 -49.04 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 125.13 -150.54 17.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.34 34.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 p -86.38 147.29 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 22.0 mm -66.97 159.85 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.6 mtp -131.7 138.39 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 37.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.77 0.238 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.465 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -84.72 158.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.71 -37.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.04 174.84 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.65 -29.29 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -64.77 -5.97 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.9 mmt180 70.79 41.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 42.2 mm-40 -117.95 148.9 44.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.0 Cg_endo -69.79 -54.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 23' ' ' VAL . 47.4 t80 -175.87 140.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -128.82 82.05 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 7.4 p -42.96 -38.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.45 -39.03 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.39 137.51 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 1.8 t80 -57.45 149.45 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.557 ' SD ' ' C ' ' A' ' 37' ' ' PHE . 8.3 mmm -146.6 161.57 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.563 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -140.05 178.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -128.13 122.6 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -68.11 127.33 32.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.19 26.66 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 56' ' ' HIS . 62.9 mt -126.29 -49.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.94 -4.52 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 63.2 47.28 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.9 m-20 -113.26 169.07 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.648 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 84.8 m95 -116.66 156.09 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 40.8 m-85 -162.39 135.32 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.523 ' N ' ' SD ' ' A' ' 27' ' ' MET . 47.1 m80 -66.52 136.34 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.62 -25.36 42.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -79.33 -28.76 42.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.43 -31.72 26.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.4 m -100.06 -29.08 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 98.45 37.59 4.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TYR . 97.7 mt -116.89 141.34 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.16 151.58 27.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 12.0 tt0 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.23 -27.74 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -90.0 -36.69 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -47.47 -55.02 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -49.31 -21.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.38 -28.46 14.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -67.88 96.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.1 t0 -58.75 -44.54 90.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 68' ' ' ILE . 26.7 mt -142.28 105.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 28' ' ' ILE . 6.7 t80 -74.35 136.99 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.4 m170 -118.61 111.29 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 15.7 p -54.43 158.06 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.77 10.48 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -109.27 -34.2 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.82 -30.4 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 30.0 tt0 -57.1 -21.04 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.2 -9.21 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -127.98 -52.09 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -74.03 -54.48 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.99 -151.46 20.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -89.5 136.68 32.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 23.4 mm -65.0 146.95 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 mtp -122.93 134.09 54.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 43.7 mttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.832 0.263 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.9 m -86.19 152.44 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.36 -41.39 1.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.78 175.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.28 -22.71 41.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 p -82.78 14.46 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 2.1 mpt_? 56.29 51.28 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.4 mm-40 -120.77 140.8 31.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -56.29 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -177.56 131.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.51 87.81 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.22 -22.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -74.87 -35.79 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -101.05 173.47 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -86.51 144.8 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 16.1 mtp -147.07 152.97 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.151 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -126.17 -178.28 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 20.7 tt0 -134.51 126.02 28.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 t -74.47 122.04 22.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.526 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -76.84 21.34 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD11 ' CE1' ' A' ' 56' ' ' HIS . 42.7 mt -128.84 -32.38 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 45.7 m -116.29 -12.82 11.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 63.02 27.68 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 3.2 m-20 -96.25 -173.4 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 80.3 m95 -136.73 137.36 39.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' N ' ' HE2' ' A' ' 27' ' ' MET . 68.6 m-85 -139.13 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -96.61 143.11 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.22 65.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -82.41 -30.85 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -79.33 -29.73 42.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 43' ' ' GLY . 4.9 m -101.91 -41.75 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.94 37.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 54.0 mt -122.63 149.3 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -115.2 150.1 36.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 27.6 tt0 -60.68 -36.0 77.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.2 pt-20 -62.19 -32.18 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 48.5 m-80 -90.74 -30.21 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.02 -45.97 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -52.76 -22.76 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.13 -15.84 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 49' ' ' ALA . 93.3 mt -83.36 101.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.4 t70 -69.96 -43.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.526 HG23 ' HA3' ' A' ' 31' ' ' GLY . 39.1 mt -134.94 92.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.151 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.6 t80 -63.76 144.98 56.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.714 ' CE1' HD11 ' A' ' 32' ' ' LEU . 12.9 m170 -121.84 110.12 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.482 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.3 p -46.88 157.43 0.47 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.75 10.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -110.24 -30.18 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' HG ' ' HG ' ' A' ' 57' ' ' CYS . 83.1 m -90.22 -31.51 16.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.12 -23.8 22.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.21 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.03 -49.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -79.25 -47.9 15.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.75 -151.85 17.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.28 12.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 p -82.86 141.83 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 69' ' ' MET . 32.6 mm -68.59 165.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.599 ' N ' HG22 ' A' ' 68' ' ' ILE . 7.6 mtp -131.43 143.82 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 19.2 mttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.842 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 30.3 m -94.73 153.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.95 -38.45 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.6 t -67.28 173.91 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -25.13 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -72.48 -0.1 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 17.0 mmt180 69.33 40.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.6 mm-40 -119.38 148.72 46.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.6 Cg_endo -69.76 -54.37 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 40.7 t80 -176.9 165.42 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 6.4 m120 -139.57 116.53 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -67.98 -40.99 84.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.0 m120 -59.88 -54.52 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -84.55 163.42 19.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 7.7 t80 -92.94 153.91 18.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 48.1 mtp -141.46 144.19 34.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -107.55 175.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.66 ' H ' HG22 ' A' ' 28' ' ' ILE . 19.8 tt0 -127.43 121.15 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.1 128.21 35.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.19 27.86 6.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.29 -46.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.55 -6.82 13.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 62.48 46.81 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -116.4 142.61 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -95.09 143.78 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 42.4 m-85 -144.75 163.86 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 42' ' ' VAL . 44.2 m80 -88.53 129.23 35.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.05 -25.08 9.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -84.3 -33.32 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.92 -29.7 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.478 HG11 ' OH ' ' A' ' 55' ' ' TYR . 27.2 m -98.65 -35.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.16 32.52 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 97.0 mt -118.43 128.15 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -91.18 137.08 32.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.88 -38.66 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.8 pt-20 -59.95 -29.13 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 18.1 m-80 -86.13 -33.04 20.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.08 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' VAL . 6.8 p -50.85 -16.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' C ' ' HE3' ' A' ' 70' ' ' LYS . 28.7 m-20 -105.22 -20.06 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.99 95.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 12.9 t0 -56.52 -45.15 81.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.0 mt -138.87 103.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.478 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.9 t80 -73.82 137.65 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 34.7 m170 -118.04 113.79 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -56.85 157.42 10.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.1 Cg_endo -69.85 11.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.28 -31.33 7.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.4 m -92.01 -32.01 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -54.11 -25.15 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -0.29 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.02 -48.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.94 -48.77 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.76 -150.46 19.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 177.78 5.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -93.98 134.53 36.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.84 153.4 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.6 mtp -127.67 135.94 50.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 14.7 mttt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.835 0.264 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.3 m -86.43 157.13 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -132.71 -35.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.92 -178.75 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.31 -14.53 38.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -86.38 8.89 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.499 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.4 mpt_? 61.49 43.83 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 47.0 mm-40 -119.83 144.36 37.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.4 Cg_endo -69.79 -56.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.624 ' CE1' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -178.53 116.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.1 m-20 -106.28 70.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.624 HG22 ' CE1' ' A' ' 21' ' ' TYR . 83.4 t -51.16 -32.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -48.0 -21.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -113.49 -81.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 12.7 t80 179.77 157.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 19.2 mtp -165.62 158.2 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.634 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -134.85 -174.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -136.06 132.6 36.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.74 126.07 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.68 27.96 3.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 64' ' ' PHE . 67.2 mt -128.29 -48.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.44 -4.03 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.33 47.05 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.83 154.12 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.3 m95 -109.55 141.79 41.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' A' ' 27' ' ' MET . 52.3 m-85 -142.64 174.67 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.3 m80 -101.29 157.84 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.04 -29.13 67.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -84.11 -28.83 27.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.8 -31.06 45.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 2.6 m -106.05 -45.24 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 116.08 42.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 94.9 mt -128.55 120.16 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.86 151.34 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 30.5 tt0 -58.87 -42.37 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.54 -28.17 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -91.61 -26.98 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -54.02 -40.83 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 50' ' ' VAL . 8.5 p -62.74 -8.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -109.78 -2.55 17.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mt -95.53 93.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.9 t70 -58.9 -39.1 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.8 mt -145.31 105.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.634 ' CE2' HD13 ' A' ' 28' ' ' ILE . 25.0 t80 -76.8 142.1 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -121.27 108.36 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -51.59 156.51 2.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.74 7.73 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -108.63 -25.02 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.406 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.0 m -98.0 -30.75 12.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.74 -26.87 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.3 -5.82 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.1 -51.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' HD13 ' A' ' 32' ' ' LEU . 53.2 m-85 -75.43 -48.37 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.17 -153.24 19.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.2 9.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.13 145.53 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 69' ' ' MET . 17.7 mm -78.33 161.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.473 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.6 mtp -133.07 137.62 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.2 mttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.798 0.249 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.515 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.8 m -102.98 157.85 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -134.95 -44.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.54 175.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.46 -27.14 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.9 p -68.7 -2.37 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' HG11 ' A' ' 13' ' ' VAL . 15.1 mmt180 69.41 39.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.515 ' C ' HG12 ' A' ' 13' ' ' VAL . 43.6 mm-40 -117.56 152.42 49.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.81 -56.01 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -178.11 142.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.608 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 5.1 t30 -113.18 160.92 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -112.36 -27.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -78.3 -23.22 47.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.41 112.18 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 28' ' ' ILE . 4.4 t80 -41.09 151.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.564 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 mtp -131.94 137.74 48.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -108.45 173.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' ILE . 44.8 tt0 -127.39 120.74 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 46.3 t -68.55 128.51 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -90.06 21.94 28.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -123.39 -43.54 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.64 -4.73 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 62.14 46.08 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.06 177.15 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -128.48 137.9 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.15 163.55 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 42' ' ' VAL . 51.7 m80 -89.56 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -59.58 -17.2 40.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 m -89.91 -39.13 13.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.9 m -72.64 -32.25 65.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 38' ' ' HIS . 24.9 m -94.63 -28.73 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.8 32.19 6.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.0 124.69 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.39 151.86 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -40.96 97.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.64 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.38 -29.48 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -52.75 -52.47 56.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 2.5 p -49.9 -17.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.38 -23.58 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.3 101.64 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.4 t0 -62.99 -46.21 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.535 HG23 ' HA3' ' A' ' 31' ' ' GLY . 31.3 mt -134.35 96.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.466 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.1 t80 -67.93 132.91 48.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.412 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 30.1 m170 -111.43 110.83 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.14 156.48 7.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 8.88 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.51 -25.74 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.34 -31.29 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.25 -19.6 14.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.7 -1.73 32.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.98 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -81.55 -49.31 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.31 -151.9 19.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.8 Cg_endo -69.77 172.8 11.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 m -89.2 133.42 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 28.5 mm -63.48 158.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.1 mtp -124.26 140.33 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 77.6 mttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -167.44 137.83 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -43.39 -50.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 -158.44 10.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 68.49 42.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -75.49 170.37 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.12 -33.16 6.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.9 mmm 60.09 43.5 14.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.19 130.09 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.7 pt? -113.77 138.93 49.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -148.61 119.62 4.27 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 157.47 60.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.6 m -88.55 141.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -117.98 -43.58 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.4 t -59.1 172.44 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.77 -21.26 48.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -85.05 23.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 3.4 mpt_? 47.95 49.32 17.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 55.3 mm-40 -124.14 143.44 42.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -53.13 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -176.7 155.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' NE2' ' A' ' 38' ' ' HIS . 2.7 m120 -133.6 110.72 10.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 24' ' ' ASN . 84.8 t -61.07 -63.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' VAL . 12.0 m-80 -34.36 -46.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.54 165.19 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 28' ' ' ILE . 3.2 t80 -95.91 148.41 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 37.6 mtp -131.71 140.18 49.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.22 167.46 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -119.53 120.68 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.85 127.58 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.45 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.01 24.7 8.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -125.28 -47.37 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.17 -6.08 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 62.87 46.77 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -114.65 147.15 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -98.78 143.05 29.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 78.5 m-85 -144.91 161.92 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 37.9 m80 -85.65 127.7 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -48.98 -26.47 5.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.41 -36.28 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -72.25 -27.64 62.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG11 ' OH ' ' A' ' 55' ' ' TYR . 28.1 m -100.19 -38.09 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.37 32.37 3.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.1 mt -118.92 120.49 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -78.81 136.88 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.75 -39.57 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.54 -24.69 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -93.62 -30.51 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.35 -46.87 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.01 -20.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -96.87 -23.93 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' ALA . 87.1 mt -73.73 99.85 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.466 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -62.07 -45.45 93.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.2 mt -134.93 95.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -67.4 134.75 52.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 32.7 m170 -114.5 112.04 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.63 156.94 8.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.78 8.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -109.92 -25.55 10.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.6 m -98.39 -31.38 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.03 -22.86 17.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.86 -1.26 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.94 -44.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -84.16 -48.74 9.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.29 -156.07 21.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 174.26 9.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.9 p -84.37 134.63 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 69' ' ' MET . 22.1 mm -67.44 157.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.455 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.5 mtp -125.85 141.42 52.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 58.4 mttt -59.13 -176.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' TRP . 43.7 t30 -95.92 -44.72 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 93.2 m95 37.41 48.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -92.94 82.53 4.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -121.14 81.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.65 159.05 31.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 138.37 37.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.0 p -49.68 140.06 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.9 p -112.2 42.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.509 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -108.44 -48.34 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 45.97 42.26 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.2 168.81 13.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -103.66 85.63 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -161.64 172.29 16.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.9 -123.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' ALA . 21.8 mtm 58.77 53.28 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.1 138.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 11' ' ' VAL . 45.9 mt -106.7 115.45 30.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG23 ' HD2' ' A' ' 12' ' ' PRO . 2.2 p -34.05 133.69 0.37 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.116 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.6 Cg_endo -69.8 162.3 42.64 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.64 2.227 . . . . 0.0 112.332 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -91.61 145.61 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -121.31 -37.41 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.82 176.28 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -84.11 -24.31 30.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 2.4 p -73.27 0.04 13.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 14.2 mmt180 70.59 40.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 39.9 mm-40 -117.36 144.8 34.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.5 Cg_endo -69.75 -54.46 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -176.96 156.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.6 117.7 14.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -71.8 -44.45 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' N ' HG13 ' A' ' 23' ' ' VAL . 3.8 m-80 -65.58 -37.56 87.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -91.68 138.98 31.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.21 150.77 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mtp -150.28 153.34 35.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.679 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -129.87 176.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 50.3 tt0 -128.53 128.62 44.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 t -73.1 122.38 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.439 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -82.15 27.38 3.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 64' ' ' PHE . 93.9 mt -128.68 -45.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 p -112.84 -6.43 13.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.5 51.56 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 8.4 m-20 -112.04 -174.06 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -138.16 136.89 37.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -142.95 172.25 12.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.763 ' O ' HG22 ' A' ' 42' ' ' VAL . 39.8 m80 -99.46 156.53 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -70.76 -30.87 67.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -80.05 -23.23 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.0 m -88.47 -31.9 18.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 38' ' ' HIS . 13.8 m -101.99 -29.02 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 97.99 39.3 3.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.553 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 95.2 mt -122.96 150.53 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -118.9 143.86 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.88 -39.18 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.46 -29.15 69.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -89.03 -34.04 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -48.21 -53.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -50.36 -18.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -101.0 -26.86 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 49' ' ' ALA . 79.4 mt -70.12 93.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.476 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.9 t0 -54.63 -39.25 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.439 HG23 ' HA3' ' A' ' 31' ' ' GLY . 24.2 mt -149.03 105.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.679 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.9 t80 -74.66 137.14 42.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -117.09 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.452 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.0 p -55.6 156.42 8.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.72 6.03 1.45 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -105.82 -25.78 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 86.4 m -98.18 -31.96 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.66 -24.28 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.1 -2.09 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.9 t -134.98 -47.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CG ' HD13 ' A' ' 32' ' ' LEU . 38.4 m-85 -80.01 -50.01 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.2 -157.4 22.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 173.53 10.85 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.634 2.222 . . . . 0.0 112.357 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 69' ' ' MET . 24.6 mm -69.73 157.49 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 68' ' ' ILE . 23.0 mtp -133.94 139.36 46.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 58.3 mttt -57.29 172.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -111.27 58.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 77.2 m95 -61.67 -60.85 3.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -130.54 111.93 12.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.2 p -71.71 -48.07 49.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.34 -173.08 21.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -125.85 -63.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.5 p -174.59 135.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.475 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -150.16 110.8 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.54 157.31 42.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.93 105.23 2.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -110.95 -58.58 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -161.0 131.42 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.91 90.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.9 mtp -92.13 129.64 38.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.91 148.02 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.6 mt -92.62 113.76 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -151.18 121.16 3.62 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 164.2 35.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.0 m -91.19 159.09 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.43 -49.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.9 t -62.01 171.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.8 -20.55 59.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.2 m -77.86 9.31 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' O ' HG11 ' A' ' 13' ' ' VAL . 3.3 mpt_? 56.4 38.65 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -113.35 147.39 37.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.8 Cg_endo -69.76 -53.68 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.461 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 80.9 t80 -176.99 150.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -124.54 94.57 4.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.3 p -53.17 -40.8 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.7 m120 -59.2 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -83.02 165.42 19.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' HG13 ' A' ' 28' ' ' ILE . 1.4 t80 -89.33 146.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.513 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 53.0 mtp -141.24 146.96 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.5 -178.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.694 ' H ' HG22 ' A' ' 28' ' ' ILE . 20.8 tt0 -134.21 115.79 14.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.7 t -66.27 130.24 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.72 20.87 25.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 64' ' ' PHE . 85.9 mt -121.02 -47.0 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.08 4.69 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 52.28 47.88 23.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.85 146.15 39.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.478 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 77.8 m95 -99.68 148.31 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 65.7 m-85 -148.16 163.55 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -85.2 122.02 28.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 44' ' ' ILE . . . -45.84 -19.94 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -83.99 -40.83 17.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -71.51 -31.53 67.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG11 ' OH ' ' A' ' 55' ' ' TYR . 23.9 m -96.17 -36.66 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.12 38.64 3.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HA3' ' A' ' 39' ' ' GLY . 89.4 mt -129.0 116.7 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.139 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.32 150.4 27.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 50.0 tt0 -57.38 -34.0 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.94 -24.28 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.79 -32.42 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -51.56 -52.24 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -45.03 -22.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.41 -25.51 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' ALA . 81.5 mt -75.5 98.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 7.8 t0 -59.52 -47.7 84.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.04 99.04 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.626 ' OH ' HG11 ' A' ' 42' ' ' VAL . 2.0 t80 -70.24 137.69 51.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.473 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 23.5 m170 -118.04 111.86 19.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.473 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.1 p -55.32 157.14 6.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.71 5.53 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -105.24 -25.32 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.437 ' CB ' HD12 ' A' ' 32' ' ' LEU . 67.6 m -98.96 -33.43 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 7.0 tt0 -52.69 -29.7 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.87 0.62 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -135.01 -46.48 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 32' ' ' LEU . 43.8 m-85 -84.5 -48.3 9.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.56 -152.35 19.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.63 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.1 p -93.93 137.32 33.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.21 153.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mtp -121.18 145.22 48.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.9 mttt -65.97 176.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -120.49 37.48 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.465 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 97.7 m95 -37.9 157.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -93.34 97.29 10.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -100.4 -62.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.8 -131.91 11.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 159.17 54.4 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.6 p -78.52 130.27 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.2 p -127.31 -27.64 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.456 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -108.89 147.05 32.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -55.37 -57.12 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 123.95 34.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -94.16 95.71 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -57.68 167.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.04 -124.27 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.2 mtp -48.1 140.32 7.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.48 162.04 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 pp -109.2 171.35 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.95 129.18 17.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 111.119 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.78 156.81 62.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG11 ' C ' ' A' ' 18' ' ' ARG . 26.7 m -79.28 165.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 20' ' ' PRO . 1.0 OUTLIER -129.29 -48.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 5.5 t -62.23 171.91 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.8 -21.52 55.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.4 p -82.21 15.62 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.561 ' C ' HG11 ' A' ' 13' ' ' VAL . 1.4 mpt_? 56.08 52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 82.9 mm-40 -127.69 140.72 38.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.626 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.73 -59.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -171.61 151.53 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -136.13 123.1 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -74.9 -23.6 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -71.6 -62.35 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -86.24 120.34 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 5.9 t80 -47.1 144.14 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.8 mtp -136.57 130.86 33.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -90.75 -179.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 28' ' ' ILE . 24.1 tt0 -129.03 119.92 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 40.9 t -75.85 119.9 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.17 30.11 3.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -129.55 -47.85 1.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.56 -4.71 14.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 62.75 40.98 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -118.69 132.97 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' ILE . 52.8 m95 -86.65 143.09 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 28' ' ' ILE . 28.4 m-85 -135.24 152.18 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.7 m80 -76.77 121.04 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.92 -20.46 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 31.4 p -85.03 -42.66 14.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.57 -29.47 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.51 HG11 ' OH ' ' A' ' 55' ' ' TYR . 20.9 m -100.46 -39.74 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 105.96 37.3 2.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.2 mt -123.06 123.65 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.16 152.24 24.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.27 -32.61 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 50' ' ' VAL . 8.5 pt-20 -65.12 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -89.43 -31.28 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.99 67.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 47' ' ' GLU . 11.6 p -51.34 -22.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -99.09 -18.88 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 98.6 mt -78.96 94.28 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -55.48 -43.71 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' SER . 37.9 mt -139.56 106.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -78.93 136.49 37.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.51 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 36.0 m170 -117.99 111.85 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.437 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.8 p -54.84 156.47 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.75 7.4 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.38 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.7 m -98.46 -31.24 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.39 -21.76 16.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -2.1 25.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 t -134.95 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -82.75 -49.66 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.86 -155.11 20.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.6 Cg_endo -69.77 176.5 6.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 54' ' ' ILE . 99.7 p -92.06 139.98 30.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 mm -70.5 151.37 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 mtp -123.18 136.5 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.5 mttt -56.48 178.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 72' ' ' TRP . 7.6 t-20 -121.04 -24.62 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.467 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 96.0 m95 34.24 48.8 0.28 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -61.09 111.95 1.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.7 m -51.7 167.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.33 152.19 6.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.3 p -39.88 -44.04 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t -161.47 142.76 11.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.487 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -160.26 168.22 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -158.07 147.04 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.46 -110.14 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m 51.02 42.47 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -174.76 143.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.74 -160.42 15.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 mmt -121.31 -55.68 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.76 0.24 12.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' VAL . 3.9 mp -81.6 95.34 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' HD2' ' A' ' 12' ' ' PRO . 3.0 p -33.86 133.68 0.36 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.74 166.66 26.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 34.2 m -99.09 149.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -125.53 -42.48 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.66 175.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.81 -22.29 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.4 p -83.51 23.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.5 mpt_? 46.32 50.4 12.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.0 mm-40 -122.33 143.46 39.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HB3' HG13 ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.77 -54.58 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -177.74 139.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 25' ' ' HIS . 87.9 m-20 -118.53 94.68 4.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 24' ' ' ASN . 8.2 p -48.99 -43.27 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.457 ' N ' HG13 ' A' ' 23' ' ' VAL . 11.5 m-80 -50.69 -54.6 21.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' ASN . 19.9 m170 -90.71 154.8 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE2' HG13 ' A' ' 28' ' ' ILE . 6.9 t80 -79.81 152.52 29.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.486 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 44.7 mtp -136.91 142.23 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -108.09 174.43 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' H ' HG22 ' A' ' 28' ' ' ILE . 55.3 tt0 -127.11 121.42 31.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.92 127.45 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.18 22.04 17.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' CE1' ' A' ' 56' ' ' HIS . 58.8 mt -124.89 -43.67 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.6 p -113.26 -6.49 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 61.51 47.94 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -114.7 160.71 19.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -112.36 136.78 51.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -135.72 172.25 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -97.29 123.95 41.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.46 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -45.83 -25.73 1.68 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 m -85.05 -41.15 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.82 -29.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.0 m -97.55 -41.1 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 110.82 31.51 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 96.8 mt -119.29 125.03 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.04 148.52 26.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -34.01 72.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.41 -32.76 74.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -86.09 -31.92 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -48.91 -56.39 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -48.11 -20.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.68 -24.63 15.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.22 100.33 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.6 t0 -59.94 -48.14 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.72 98.35 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CD2' ' HB ' ' A' ' 28' ' ' ILE . 1.5 t80 -70.89 135.09 47.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.538 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.6 m170 -115.89 111.5 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.6 p -54.09 157.02 4.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.78 6.12 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -104.79 -27.74 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.21 -30.31 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 15.7 tt0 -55.89 -25.84 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.29 -6.91 43.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.4 -52.13 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -76.62 -50.39 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 129.53 -148.49 18.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.6 Cg_endo -69.84 175.33 8.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.1 p -96.55 141.32 29.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 69' ' ' MET . 22.3 mm -67.55 156.82 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.425 ' N ' HG22 ' A' ' 68' ' ' ILE . 24.8 mtp -128.18 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 42.5 mttt -61.52 169.73 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.13 51.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.438 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 66.8 m95 -49.15 179.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -98.93 107.94 20.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.1 m -146.12 165.97 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.69 -158.18 10.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -40.39 5.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p 42.25 42.04 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 p 38.78 42.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -123.81 81.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -171.82 136.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.93 61.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -121.91 43.3 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -101.92 124.99 48.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 159.37 -95.11 0.14 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.4 ptt? 34.7 43.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.315 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.17 135.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.8 109.99 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG23 ' HD2' ' A' ' 12' ' ' PRO . 3.2 p -144.9 131.95 10.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.131 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.6 Cg_endo -69.79 166.66 26.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.6 m -92.11 157.96 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -133.07 -62.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 6.5 t -46.98 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.65 -23.21 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -69.84 -5.92 28.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.532 ' O ' HG11 ' A' ' 13' ' ' VAL . 19.6 mmt180 70.32 39.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 45.9 mm-40 -118.32 151.04 48.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -54.27 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 69.7 t80 -176.7 145.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -118.28 91.96 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 7.6 p -54.76 -23.53 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -78.03 -40.23 39.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -96.48 158.57 15.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -77.48 150.74 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 14.1 mtp -147.84 157.38 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.872 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.5 OUTLIER -128.64 -179.19 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -131.52 128.74 39.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.3 t -79.21 126.27 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.3 20.95 5.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.627 HD11 ' CE1' ' A' ' 56' ' ' HIS . 73.1 mt -126.75 -36.36 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 m -114.98 -13.09 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 65.35 25.0 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 4.8 m-20 -96.16 177.77 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 84.1 m95 -125.42 151.08 46.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 71.4 m-85 -151.07 162.23 41.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.9 m80 -85.03 137.82 32.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.41 -20.18 54.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -85.19 -34.66 22.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.7 m -77.49 -29.75 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.5 m -97.23 -38.71 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 107.66 37.34 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 95.9 mt -124.39 137.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -99.44 156.4 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 63.8 tt0 -64.3 -39.22 93.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.55 -24.96 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.08 -32.85 16.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.41 -50.48 30.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -51.43 -23.05 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -96.43 -16.99 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.0 mt -83.06 104.69 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.1 t70 -69.89 -47.85 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.441 HG23 ' HA3' ' A' ' 31' ' ' GLY . 19.9 mt -134.96 98.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.872 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.1 t80 -69.61 144.11 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 32' ' ' LEU . 5.7 m170 -120.2 109.33 15.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.82 157.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.1 Cg_endo -69.66 6.71 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -107.64 -25.34 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.477 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.7 m -92.82 -34.15 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 45.1 tt0 -57.02 -17.57 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.44 -6.0 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.95 -50.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -72.81 -49.02 33.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 126.08 -149.46 17.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.5 Cg_endo -69.84 169.91 17.9 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.309 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -88.68 152.67 21.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 69' ' ' MET . 25.1 mm -75.34 160.1 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.477 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.7 mtp -134.81 134.33 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 52.8 mttt -50.95 176.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -111.49 68.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 90.5 m95 -79.81 44.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' TRP . 29.8 m-70 36.21 43.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.4 t -106.44 156.43 18.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.65 129.07 9.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.31 35.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.8 p -160.61 172.74 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -101.44 143.48 31.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.483 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 t -131.75 147.24 52.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -131.84 -47.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.87 140.88 2.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -123.67 121.8 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -100.01 125.81 46.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 150.18 5.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 mtp -120.6 92.95 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.12 169.12 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.4 pp -140.85 136.72 32.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.41 126.61 13.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 54.0 Cg_endo -69.71 166.49 27.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.724 2.282 . . . . 0.0 112.359 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.7 m -90.71 155.99 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 2.0 m-85 -133.15 -58.29 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 10.0 t -53.36 171.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.14 -20.84 61.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.34 6.56 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.799 ' O ' HG11 ' A' ' 13' ' ' VAL . 10.5 mpt_? 56.22 36.76 28.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.458 ' C ' HG12 ' A' ' 13' ' ' VAL . 30.8 mm-40 -110.73 150.91 42.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.1 Cg_endo -69.69 -53.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -175.99 149.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -123.07 122.09 37.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.2 p -77.9 -40.65 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' N ' HG13 ' A' ' 23' ' ' VAL . 73.4 m-80 -63.58 -40.3 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -95.56 154.58 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 17.2 t80 -81.77 154.14 26.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.567 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 13.5 mmm -143.03 158.83 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.601 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -134.09 174.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 28' ' ' ILE . 31.8 tt0 -124.42 127.68 47.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -77.39 124.04 27.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.514 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.44 21.08 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD11 ' CE1' ' A' ' 56' ' ' HIS . 59.0 mt -125.86 -38.28 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.58 -9.84 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 63.02 26.97 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 2.1 m-20 -101.62 -173.91 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.548 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 76.4 m95 -130.42 158.78 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 73.9 m-85 -162.03 139.95 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CD2' ' SD ' ' A' ' 27' ' ' MET . 38.5 m80 -60.7 124.92 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.559 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -52.34 -14.53 2.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 p -88.59 -45.68 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.65 -23.12 65.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG11 ' OH ' ' A' ' 55' ' ' TYR . 21.5 m -97.66 -40.62 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 112.49 24.63 4.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.583 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 82.7 mt -117.92 134.59 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.84 157.35 15.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.8 -33.14 75.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.5 -18.59 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -92.7 -34.76 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -48.87 -53.15 20.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.4 p -44.65 -24.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.65 -24.22 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' ALA . 83.6 mt -76.51 98.54 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.0 t0 -61.62 -45.69 93.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.514 HG23 ' HA3' ' A' ' 31' ' ' GLY . 28.2 mt -134.92 95.31 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.583 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 2.7 t80 -64.88 139.37 58.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.664 ' CE1' HD11 ' A' ' 32' ' ' LEU . 7.0 m170 -115.43 109.83 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -47.88 158.44 0.54 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.73 7.07 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.36 -24.61 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' CB ' HD12 ' A' ' 32' ' ' LEU . 80.9 m -94.14 -31.3 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.9 tt0 -59.6 -10.84 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.05 -11.54 55.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.01 -50.06 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -73.73 -54.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 131.75 -149.74 19.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 169.57 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.8 p -85.14 139.69 31.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 69' ' ' MET . 25.8 mm -66.42 156.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.169 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' HG22 ' A' ' 68' ' ' ILE . 25.0 mtp -126.06 147.79 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HB2' ' CD1' ' A' ' 72' ' ' TRP . 60.7 mttt -64.4 162.41 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -97.74 46.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 99.3 m95 -48.81 103.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -99.28 88.58 3.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -102.5 -56.08 2.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.46 -124.11 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.52 68.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.296 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' SER . 64.0 p -82.76 40.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 21.3 t 34.66 41.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -134.4 172.63 12.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -128.05 132.59 49.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.1 94.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -158.14 179.4 9.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t 62.45 47.89 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.64 -132.56 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -108.72 177.27 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.96 131.54 34.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 11' ' ' VAL . 5.3 mp -134.62 117.05 15.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.3 p -33.69 128.5 0.42 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.186 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.3 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 29.2 m -77.18 156.36 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.547 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 3.9 m-85 -132.28 -49.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 8.3 t -62.82 170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.98 -25.73 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 m -66.79 -8.99 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 8.5 mmt85 73.25 38.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 38.7 mm-40 -115.73 149.32 42.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -53.98 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -176.58 157.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -136.63 104.22 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.15 -27.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -80.06 -38.81 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -94.34 123.01 37.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -48.26 148.14 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.5 mtp -151.54 149.85 29.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.752 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -123.52 177.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 30.5 tt0 -130.41 132.29 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -75.34 123.07 24.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.585 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -81.62 25.38 3.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 56' ' ' HIS . 66.9 mt -126.18 -46.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.08 -2.69 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 59.84 49.57 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 10.8 m-20 -107.2 -173.71 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.495 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 75.8 m95 -141.34 145.54 35.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 37.7 m-85 -154.73 167.79 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -92.49 135.3 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.37 -20.16 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -85.75 -23.36 27.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.82 -29.61 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.6 m -97.48 -35.81 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.92 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.441 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 91.5 mt -124.92 143.34 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -112.1 146.4 38.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.34 -40.38 61.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -61.79 -33.04 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -86.47 -27.62 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.07 -50.47 58.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.08 -17.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -99.02 -18.12 17.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.9 mt -83.77 98.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.7 t0 -64.39 -48.05 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.585 HG23 ' HA3' ' A' ' 31' ' ' GLY . 25.6 mt -134.77 96.56 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.752 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.6 t80 -67.7 142.05 56.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 66' ' ' PRO . 34.2 m170 -119.01 112.87 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -56.41 156.41 11.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.77 6.73 1.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.721 2.281 . . . . 0.0 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.32 -25.92 11.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.9 m -96.97 -34.13 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.17 -25.57 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.67 -2.45 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -135.06 -50.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -76.14 -47.41 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.37 -150.09 17.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 54.1 Cg_endo -69.77 173.73 10.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.8 p -92.81 144.65 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 69' ' ' MET . 23.4 mm -71.06 158.95 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.471 ' N ' HG22 ' A' ' 68' ' ' ILE . 13.3 mtp -127.73 140.72 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 76.8 mttt -55.43 170.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -104.94 30.65 5.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.428 ' CD2' ' O ' ' A' ' 72' ' ' TRP . 55.7 p-90 -157.46 122.29 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.53 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 45.2 t-80 -103.68 164.65 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 44.8 t -159.07 117.83 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.53 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 67.33 138.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 -53.54 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -152.6 135.3 15.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.479 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -131.84 -50.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.06 160.9 22.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.01 100.27 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -153.71 166.25 33.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -165.99 168.77 15.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.15 -113.88 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' ALA . 6.7 ttt -89.21 168.21 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.04 130.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 11' ' ' VAL . 22.5 mt -90.14 122.4 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -32.56 132.17 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.1 Cg_endo -69.79 159.06 54.79 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.289 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -89.98 138.68 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -115.88 -42.12 3.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.8 t -64.1 175.32 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mt -83.15 -17.18 43.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.24 20.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 1.6 mpt_? 48.57 47.19 20.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.3 mm-40 -121.26 147.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.73 -53.34 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t80 -176.65 142.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.702 ' ND2' ' CE1' ' A' ' 38' ' ' HIS . 1.2 m-80 -91.8 141.29 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.511 HG12 ' ND2' ' A' ' 24' ' ' ASN . 2.1 t -90.24 116.24 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.511 ' ND2' HG12 ' A' ' 23' ' ' VAL . 70.3 m-20 72.68 47.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 22' ' ' ASN . 11.4 m170 -145.85 131.76 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' HE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -43.01 142.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.0 mtp -158.71 127.07 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.688 HD13 ' CE2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -108.32 175.57 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 7.0 tm-20 -131.53 120.83 23.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.1 t -63.36 128.1 34.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.63 25.0 8.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 64' ' ' PHE . 93.2 mt -124.47 -46.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.04 -5.31 14.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 63.26 49.31 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -117.75 160.13 21.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 66.8 m95 -112.76 147.3 37.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 43.7 m-85 -151.25 160.55 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.702 ' CE1' ' ND2' ' A' ' 22' ' ' ASN . 40.2 m80 -84.0 163.0 20.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.0 -25.12 62.7 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -85.64 -32.89 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 m -73.51 -37.21 65.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 4.8 m -97.34 -41.53 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 109.67 40.1 1.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 85.2 mt -126.35 127.11 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 111.166 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -92.88 158.5 15.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -37.26 86.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.57 -32.97 69.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -85.45 -38.47 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.53 -55.36 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 p -47.8 -23.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.08 -28.51 13.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.6 mt -67.3 97.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.1 t0 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mt -143.69 105.09 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.688 ' CE2' HD13 ' A' ' 28' ' ' ILE . 10.1 t80 -74.41 135.72 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -118.45 107.67 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.37 156.82 2.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.78 7.34 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -28.56 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.21 -33.67 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.86 -20.47 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.43 -4.06 34.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.178 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -134.87 -48.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.1 m-85 -75.78 -49.12 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.47 -153.94 20.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.63 12.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -89.61 139.62 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 69' ' ' MET . 20.8 mm -68.98 158.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.446 ' N ' HG22 ' A' ' 68' ' ' ILE . 21.4 mtp -134.92 136.09 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 50.6 mttt -57.03 145.69 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' TRP . 0.2 OUTLIER -101.68 47.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.419 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 70.6 m95 -37.49 156.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -55.36 130.85 44.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 t -47.6 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.72 -154.79 18.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 149.68 67.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.71 2.274 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -90.76 44.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.9 p -109.51 -42.55 4.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.527 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -173.45 162.19 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -141.08 144.45 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.37 167.08 29.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -111.36 145.34 39.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -124.85 86.21 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.04 -172.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mmt -119.61 80.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.08 134.74 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 mt -89.25 97.42 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -43.9 123.69 4.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.567 0.699 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 161.86 44.33 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.4 m -89.76 148.45 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -124.06 -32.8 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -74.84 176.59 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -82.71 -28.14 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 1.9 p -68.44 -4.93 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.6 mmt180 73.92 44.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.0 mm-40 -118.94 145.95 39.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.7 Cg_endo -69.78 -54.9 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.554 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 72.7 t80 -176.8 168.32 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 8.0 m120 -155.32 106.11 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.28 -29.67 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -71.25 -37.39 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -100.12 132.56 45.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -49.95 155.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 8.7 mtp -161.17 144.01 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -120.56 179.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -130.6 130.05 43.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.9 t -75.52 130.96 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -87.33 26.07 7.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.1 mt -126.5 -49.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.35 -4.97 13.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 62.46 44.77 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -111.39 135.9 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -89.94 142.27 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -141.37 170.4 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.745 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.1 m80 -94.79 153.97 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 -24.8 76.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 t -85.09 -30.58 23.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.822 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.4 m -80.09 -28.45 39.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.3 m -104.22 -37.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.97 37.7 2.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 92.6 mt -122.58 139.65 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.55 149.12 25.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -55.94 -43.12 77.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -64.24 -20.53 66.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -95.36 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -61.13 -41.18 96.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.4 p -59.05 -13.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.63 -8.94 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 49' ' ' ALA . 89.5 mt -91.72 100.63 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.5 t70 -62.58 -48.79 77.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.0 mt -134.37 98.42 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 28' ' ' ILE . 14.9 t80 -69.76 139.88 53.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -118.34 109.49 16.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.7 p -52.79 156.07 3.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.74 8.81 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -28.32 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.535 ' CB ' HD12 ' A' ' 32' ' ' LEU . 81.9 m -94.18 -33.47 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.9 -24.19 22.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.6 -3.13 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -135.01 -51.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.478 ' CD1' HD13 ' A' ' 32' ' ' LEU . 50.0 m-85 -74.7 -46.51 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 66' ' ' PRO . . . 125.23 -150.49 17.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 65' ' ' GLY . 53.7 Cg_endo -69.77 169.7 18.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 p -90.79 144.97 25.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 19.4 mm -77.43 147.44 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 75.2 mmm -113.72 156.79 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 71.9 mttt -69.31 -177.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -132.19 41.83 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 56.8 p-90 -157.88 139.18 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -127.93 123.79 35.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.5 t -73.28 -71.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.98 72.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.95 61.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.377 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.5 m -56.65 95.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.5 p -113.02 166.04 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.499 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -163.66 145.57 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -163.73 165.32 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.08 113.62 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -85.48 169.2 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -75.18 141.59 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -78.82 -37.77 25.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.2 ttp -34.51 108.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.9 140.72 47.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.2 mt -103.42 105.01 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.456 HG23 ' HD2' ' A' ' 12' ' ' PRO . 2.4 p -53.56 133.31 54.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 11' ' ' VAL . 54.5 Cg_endo -69.71 166.67 26.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.8 m -98.27 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.75 -43.09 0.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.0 171.21 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.54 -27.09 55.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -70.17 -3.52 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 13.5 mmt180 70.91 43.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 50.7 mm-40 -120.44 149.3 49.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.9 Cg_endo -69.78 -53.49 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -176.68 153.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB2' ' NE2' ' A' ' 38' ' ' HIS . 4.4 m-20 -138.6 106.75 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.9 -30.58 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -67.15 -50.6 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -94.58 108.94 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 28' ' ' ILE . 13.8 t80 -40.39 156.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.527 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 25.7 mtp -140.9 146.33 37.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -114.42 178.29 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.4 tm-20 -131.0 121.1 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 t -71.83 126.3 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.544 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -80.94 24.45 3.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.519 HD12 ' CB ' ' A' ' 60' ' ' CYS . 78.2 mt -131.21 -36.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.1 m -112.36 -12.06 13.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 62.33 28.67 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.73 -173.87 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -134.5 139.98 45.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' N ' ' HE2' ' A' ' 27' ' ' MET . 13.6 m-85 -144.11 157.26 44.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 22' ' ' ASN . 42.2 m80 -81.66 134.75 35.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.6 -23.79 29.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -83.18 -35.37 25.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.6 m -74.91 -27.45 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG11 ' OH ' ' A' ' 55' ' ' TYR . 22.2 m -102.15 -39.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 108.91 35.15 2.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.523 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 96.3 mt -121.49 118.43 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -78.0 137.42 38.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -37.37 63.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 50' ' ' VAL . 3.0 pt-20 -64.6 -25.79 68.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -91.41 -27.61 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.73 -43.22 62.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.6 p -55.18 -13.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.73 -18.03 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.498 HG12 ' CE ' ' A' ' 69' ' ' MET . 67.4 mt -85.95 98.41 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CB ' ' HG2' ' A' ' 70' ' ' LYS . 7.9 t0 -63.39 -43.63 97.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.544 HG23 ' HA3' ' A' ' 31' ' ' GLY . 27.1 mt -134.93 89.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.589 ' CE1' ' CD1' ' A' ' 44' ' ' ILE . 3.7 t80 -62.3 143.04 57.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.5 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 17.7 m170 -120.31 113.74 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -51.12 157.4 1.51 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 52.7 Cg_endo -69.82 8.2 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -109.77 -24.62 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.6 m -94.9 -30.52 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 34.5 tt0 -58.56 -19.15 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.64 -5.84 49.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.33 -51.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -74.51 -49.81 20.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.31 -150.85 18.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.458 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 172.35 12.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.3 p -88.44 140.35 29.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.8 mm -65.66 154.85 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CE ' HG12 ' A' ' 52' ' ' ILE . 7.4 mmt -115.79 148.02 40.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HG2' ' CB ' ' A' ' 53' ' ' ASP . 68.4 mttt -68.08 163.85 21.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -117.6 52.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.451 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 42.8 p-90 -163.56 136.89 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -129.62 101.69 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.7 m -88.62 -40.12 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.26 -79.96 1.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 111.45 2.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.3 t -105.34 -43.42 4.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 m -108.46 134.05 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.79 139.74 38.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -84.81 -61.08 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.54 100.81 2.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -121.16 162.36 20.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -151.32 125.98 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.9 165.14 33.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ttt -114.54 1.42 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.33 0.21 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 10' ' ' LEU . 3.9 mp -87.24 94.03 9.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 20' ' ' PRO . 2.6 p -56.47 132.59 76.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.603 0.716 . . . . 0.0 111.175 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 11' ' ' VAL . 54.2 Cg_endo -69.69 158.95 55.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 27.2 m -90.18 154.61 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -129.03 -44.86 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 3.5 t -61.25 174.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 -14.85 48.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 6.1 p -84.55 7.82 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.507 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.4 mpt_? 62.61 45.43 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.2 mm-40 -118.81 144.46 35.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' HB3' HG13 ' A' ' 11' ' ' VAL . 53.3 Cg_endo -69.79 -57.58 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -177.93 144.59 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -116.69 111.8 20.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.53 ' O ' HG22 ' A' ' 23' ' ' VAL . 8.6 p -82.44 6.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -106.65 -23.39 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.08 176.68 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -84.94 149.98 25.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mtp -151.62 153.33 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.7 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.54 -175.21 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.9 tt0 -139.65 122.79 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.8 125.73 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.42 24.18 6.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.83 -47.61 2.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.905 0.384 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.8 p -115.32 -3.07 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.64 43.51 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -114.4 128.92 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 57.7 m95 -84.58 155.93 21.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 68.6 m-85 -153.36 172.61 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 42' ' ' VAL . 32.2 m80 -98.63 141.89 30.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.2 -30.81 61.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 p -83.06 -22.06 33.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -86.6 -28.77 23.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 55' ' ' TYR . 16.8 m -108.1 -27.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.1 41.84 3.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.548 HD11 ' CD1' ' A' ' 55' ' ' TYR . 78.4 mt -123.59 145.12 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -110.05 153.57 24.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.62 -52.08 67.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 50' ' ' VAL . 4.7 pm0 -54.82 -28.15 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.46 -36.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ILE . . . -52.6 -50.88 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 47' ' ' GLU . 12.6 p -46.9 -22.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 50' ' ' VAL . 5.1 m-20 -100.34 -21.68 15.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.7 mt -73.87 96.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.3 t0 -60.67 -42.1 96.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.2 mt -142.22 106.05 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 28' ' ' ILE . 8.0 t80 -75.16 135.79 41.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -116.35 108.86 16.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -53.01 157.01 3.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.594 0.711 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.77 8.05 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.46 -27.24 10.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -94.53 -33.13 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -56.49 -19.43 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.03 -6.33 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 -48.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -76.39 -49.81 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.76 -152.8 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.06 13.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -87.54 148.6 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 69' ' ' MET . 20.5 mm -77.06 156.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.401 ' N ' HG22 ' A' ' 68' ' ' ILE . 17.6 mtp -129.66 139.86 51.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 29.7 mttt -58.6 167.83 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' TRP . 0.6 OUTLIER -124.21 -16.33 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.469 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 64.1 m95 32.93 48.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -38.68 103.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 m -120.61 -45.4 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.54 153.9 10.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.4 13.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.7 t -94.42 107.95 19.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 p -52.39 -54.5 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.161 -0.8 . . . . 0.0 112.464 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -54.52 -175.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t 65.13 44.4 3.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.99 176.52 16.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -171.25 160.94 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.806 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -111.31 154.23 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.04 -84.56 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.44 160.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.1 pp -142.54 135.05 27.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 p -88.1 130.28 46.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.717 . . . . 0.0 111.157 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.76 139.71 40.89 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' C ' ' A' ' 18' ' ' ARG . 34.2 m -70.08 162.37 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.634 ' CD2' ' O ' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -121.53 -40.37 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.4 t -72.58 173.72 8.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -82.22 -26.19 33.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' C ' ' HG2' ' A' ' 18' ' ' ARG . 3.9 p -67.53 -2.92 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 mmt85 74.97 46.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 72.0 mm-40 -130.94 148.39 70.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' O ' ' CD2' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.8 -60.34 0.07 OUTLIER 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 15.6 t80 -176.85 160.51 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 52.9 m-20 -130.78 125.33 33.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.96 -25.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -92.87 22.1 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -152.89 157.8 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 1.3 t80 -74.03 142.76 45.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.579 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 8.1 mtp -155.49 135.19 12.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.981 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -103.4 -173.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 43.2 tt0 -140.92 124.25 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 t -74.27 121.3 21.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 22.11 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 56' ' ' HIS . 43.0 mt -128.21 -32.91 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -117.64 -10.06 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 62.94 25.03 14.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -104.06 149.86 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 64.1 m95 -102.65 150.79 23.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 10.5 m-85 -145.1 165.14 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -91.56 134.47 34.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -53.59 -25.51 28.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 p -79.18 -37.24 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.1 m -75.5 -30.54 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.0 m -100.56 -48.96 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.592 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 119.01 39.37 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 55' ' ' TYR . 76.1 mt -119.95 147.57 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.777 0.322 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -116.74 143.86 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 26.7 tt0 -54.27 -27.45 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.98 -27.74 61.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -93.81 -31.68 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -57.4 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.43 -18.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.73 -13.49 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.542 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 97.1 mt -81.02 102.4 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 10.5 t0 -68.07 -46.12 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.4 mt -135.02 99.25 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.981 ' CE2' HD13 ' A' ' 28' ' ' ILE . 11.2 t80 -70.23 142.63 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 32' ' ' LEU . 17.4 m170 -121.53 108.69 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.9 p -45.53 157.71 0.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.629 0.728 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 7.24 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.81 -26.69 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -91.47 -31.93 15.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 36.5 tt0 -58.02 -16.53 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.84 -4.7 53.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.04 -51.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.07 -49.3 37.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 127.83 -151.45 18.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 170.55 16.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -82.77 158.49 22.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.6 mm -89.0 153.6 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.542 ' HE2' ' HA ' ' A' ' 52' ' ' ILE . 7.1 mmt -116.78 151.64 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 46.4 mttt -66.76 165.95 14.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -104.31 44.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 99.3 m95 -49.19 112.57 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -47.86 -60.49 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -85.31 42.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.421 ' HA2' ' HD2' ' A' ' 76' ' ' PRO . . . -44.53 106.46 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD2' ' HA2' ' A' ' 75' ' ' GLY . 53.5 Cg_endo -69.79 -44.91 1.79 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -68.08 144.94 54.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.2 m -121.56 -53.81 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.491 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -90.34 89.55 7.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.808 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -76.96 86.16 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.83 -173.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -173.23 142.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -47.23 128.62 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.19 116.43 2.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.523 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -135.64 168.72 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.67 149.25 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -113.89 142.87 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.46 118.74 20.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.708 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 14' ' ' TYR . 53.6 Cg_endo -69.76 162.15 43.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 18' ' ' ARG . 35.3 m -84.57 154.26 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' CE1' ' O ' ' A' ' 12' ' ' PRO . 7.4 m-85 -129.94 -68.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 22.5 t -43.78 166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.79 -25.98 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.16 -13.63 58.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.625 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.5 mmt85 74.95 41.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 41.9 mm-40 -116.94 150.98 46.86 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.566 0.698 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -56.77 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -176.22 147.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -132.92 86.64 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.23 -24.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.62 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.7 144.14 57.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.535 ' SD ' ' CD2' ' A' ' 38' ' ' HIS . 9.5 mmm -147.65 148.49 31.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -125.13 -175.22 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 57.3 tt0 -133.97 137.19 44.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.2 t -82.75 126.65 32.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -80.68 21.15 5.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 60' ' ' CYS . 33.7 mt -125.57 -36.64 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 m -115.77 -8.12 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 62.51 24.98 14.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 40.0 m-20 -98.52 -173.65 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 66.7 m95 -131.72 160.99 33.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD1' ' O ' ' A' ' 36' ' ' TRP . 80.4 m-85 -162.52 135.22 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.9 m170 -57.85 135.14 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 26' ' ' PHE . . . -63.0 -16.56 57.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.2 m -87.15 -26.13 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.7 m -89.05 -23.51 22.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.2 m -102.14 -28.93 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.14 40.2 3.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.641 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 76.7 mt -127.16 128.98 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -95.46 162.23 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 40.2 tt0 -67.6 -36.77 81.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -62.7 -25.67 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -90.05 -34.95 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' HE2' ' A' ' 26' ' ' PHE . . . -46.31 -51.53 14.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' OD1' ' A' ' 51' ' ' ASP . 11.7 p -51.04 -25.56 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' OD1' HG13 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -96.28 -15.05 22.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.2 mt -85.16 95.18 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 6.6 t0 -62.21 -48.06 81.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.435 HG23 ' HA3' ' A' ' 31' ' ' GLY . 26.9 mt -135.2 100.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.641 ' CD1' ' CD1' ' A' ' 44' ' ' ILE . 18.3 t80 -69.78 143.74 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -119.56 107.47 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.1 p -46.78 158.62 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.2 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.11 -24.59 11.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.553 ' HB3' HD12 ' A' ' 32' ' ' LEU . 97.3 m -92.99 -32.64 14.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 35.6 tt0 -59.05 -10.79 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.03 -7.58 59.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.42 -47.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -76.63 -52.28 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 130.08 -150.82 19.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.469 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.28 24.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 m -84.67 140.89 31.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 69' ' ' MET . 25.7 mm -67.98 160.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' HG22 ' A' ' 68' ' ' ILE . 5.6 mtp -127.37 147.89 50.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 75.7 mttt -62.78 -178.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -125.15 39.04 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.427 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 58.3 p-90 -158.15 149.91 21.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -144.12 169.17 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -147.67 163.8 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.25 106.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 167.25 24.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.326 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.5 p -114.14 37.98 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -72.45 132.02 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.5 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -81.09 102.97 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -79.85 111.23 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.32 91.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -97.13 -58.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -172.61 42.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.77 170.08 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.731 0.3 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.16 147.32 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.19 127.35 34.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 20' ' ' PRO . 8.5 t -58.82 134.43 86.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 0.0 111.151 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 11' ' ' VAL . 53.5 Cg_endo -69.79 130.03 18.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 18' ' ' ARG . 31.6 m -88.24 129.16 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 1.8 m-85 -103.31 -56.34 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.4 t -47.01 174.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.78 -17.88 46.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 9.0 p -85.37 12.5 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' O ' HG11 ' A' ' 13' ' ' VAL . 2.1 mpt_? 58.82 50.62 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 21.5 mm-40 -118.84 143.3 33.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.618 0.723 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB3' ' HB ' ' A' ' 11' ' ' VAL . 54.1 Cg_endo -69.7 -57.05 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -177.11 143.22 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -134.27 85.9 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 24' ' ' ASN . 10.9 p -44.32 -45.74 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 23' ' ' VAL . 2.3 m120 -58.87 -31.04 68.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -99.78 115.05 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -44.65 145.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.5 mtp -147.4 161.73 40.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.989 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -136.77 -179.05 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 9.2 tm-20 -131.57 127.12 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 t -75.32 126.5 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.485 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -79.75 24.0 3.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 60' ' ' CYS . 64.4 mt -130.25 -36.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.5 m -117.26 -9.29 10.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 61.46 25.36 15.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 98.2 m-20 -93.35 169.95 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.5 m95 -119.56 149.83 41.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -152.5 164.48 37.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -89.37 144.39 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.82 67.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.1 m -82.93 -32.7 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.6 m -74.73 -34.2 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 43' ' ' GLY . 6.3 m -99.49 -43.17 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.17 43.99 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 64.7 mt -127.38 130.86 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 7.9 mm-40 -95.67 160.58 14.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 2.7 tm-20 -67.41 -39.9 85.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.85 -27.86 65.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 45' ' ' GLU . 17.3 m-20 -88.95 -37.54 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -46.52 -53.97 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 p -49.12 -23.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.18 -18.78 18.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 49' ' ' ALA . 91.2 mt -79.83 98.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 8.5 t0 -64.81 -47.36 78.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.485 HG23 ' HA3' ' A' ' 31' ' ' GLY . 23.1 mt -135.04 97.94 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.989 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.1 t80 -67.85 143.27 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -120.45 112.03 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 13.8 p -49.65 157.8 0.94 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 54.0 Cg_endo -69.75 5.79 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.22 -24.55 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.592 ' CB ' HD12 ' A' ' 32' ' ' LEU . 91.6 m -93.38 -32.8 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLY . 32.8 tt0 -59.72 -10.11 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.97 -7.08 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.9 t -133.97 -47.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.93 -49.04 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . . . 125.13 -150.54 17.24 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.34 34.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 p -86.38 147.29 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 22.0 mm -66.97 159.85 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 19.6 mtp -131.7 138.39 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 37.5 mttt -59.97 147.04 40.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' HIS . 3.3 m120 -107.93 46.63 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.461 ' NE1' ' HD2' ' A' ' 70' ' ' LYS . 68.1 m95 -37.83 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASN . 34.3 m170 57.81 43.6 21.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' HIS . 85.4 p 36.25 44.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.08 -76.36 0.76 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -43.36 115.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -84.35 -46.71 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.482 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -142.89 157.89 44.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -165.84 127.04 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.63 118.89 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.553 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -112.93 173.67 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -166.21 161.42 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 120.82 -40.62 2.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 35.81 41.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.5 128.82 34.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.8 mt -56.14 128.7 36.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.41 119.83 3.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 160.56 49.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG12 ' C ' ' A' ' 19' ' ' GLN . 35.9 m -84.72 158.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.71 -37.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.04 174.84 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.65 -29.29 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -64.77 -5.97 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 11.9 mmt180 70.79 41.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 42.2 mm-40 -117.95 148.9 44.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 54.0 Cg_endo -69.79 -54.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 23' ' ' VAL . 47.4 t80 -175.87 140.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -128.82 82.05 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 7.4 p -42.96 -38.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.45 -39.03 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -100.39 137.51 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 49' ' ' ALA . 1.8 t80 -57.45 149.45 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.557 ' SD ' ' C ' ' A' ' 37' ' ' PHE . 8.3 mmm -146.6 161.57 40.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.563 ' O ' ' CE3' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -140.05 178.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -128.13 122.6 32.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.3 t -68.11 127.33 32.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.19 26.66 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 56' ' ' HIS . 62.9 mt -126.29 -49.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.94 -4.52 14.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 63.2 47.28 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 4.9 m-20 -113.26 169.07 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.648 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 84.8 m95 -116.66 156.09 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 40.8 m-85 -162.39 135.32 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.523 ' N ' ' SD ' ' A' ' 27' ' ' MET . 47.1 m80 -66.52 136.34 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -55.62 -25.36 42.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -79.33 -28.76 42.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.379 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -83.43 -31.72 26.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 38' ' ' HIS . 35.4 m -100.06 -29.08 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' GLY . . . 98.45 37.59 4.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 55' ' ' TYR . 97.7 mt -116.89 141.34 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.16 151.58 27.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 12.0 tt0 -57.7 -42.48 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.23 -27.74 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -90.0 -36.69 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -47.47 -55.02 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.7 p -49.31 -21.47 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.38 -28.46 14.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -67.88 96.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 4.1 t0 -58.75 -44.54 90.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 68' ' ' ILE . 26.7 mt -142.28 105.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 28' ' ' ILE . 6.7 t80 -74.35 136.99 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 32' ' ' LEU . 26.4 m170 -118.61 111.29 18.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 15.7 p -54.43 158.06 4.38 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.8 Cg_endo -69.77 10.48 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -109.27 -34.2 6.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -88.82 -30.4 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 30.0 tt0 -57.1 -21.04 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.2 -9.21 58.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 t -127.98 -52.09 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -74.03 -54.48 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.99 -151.46 20.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -89.5 136.68 32.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' A' ' 54' ' ' ILE . 23.4 mm -65.0 146.95 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.7 mtp -122.93 134.09 54.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 43.7 mttt -57.04 173.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.55 63.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.457 ' CG ' ' N ' ' A' ' 74' ' ' SER . 41.1 t-80 -150.56 167.36 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 12.0 m -37.26 -49.7 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.18 124.14 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 100.46 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -75.48 102.08 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -85.13 -60.11 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.496 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -172.23 151.81 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m 62.25 41.79 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.09 176.81 47.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -138.41 147.94 43.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -126.36 167.17 15.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.97 -148.53 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpp -105.21 115.15 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.51 156.28 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.755 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -126.9 113.37 16.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 p -41.61 124.28 2.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.642 0.734 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.96 64.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.9 m -86.19 152.44 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.36 -41.39 1.74 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.78 175.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mt -80.28 -22.71 41.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.9 p -82.78 14.46 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 2.1 mpt_? 56.29 51.28 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 36.4 mm-40 -120.77 140.8 31.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -56.29 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -177.56 131.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.51 87.81 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.22 -22.57 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -74.87 -35.79 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -101.05 173.47 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -86.51 144.8 27.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.405 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 16.1 mtp -147.07 152.97 39.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.151 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -126.17 -178.28 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 35' ' ' ASP . 20.7 tt0 -134.51 126.02 28.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.6 t -74.47 122.04 22.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -76.84 21.34 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD11 ' CE1' ' A' ' 56' ' ' HIS . 42.7 mt -128.84 -32.38 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.7 m -116.29 -12.82 11.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 63.02 27.68 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 3.2 m-20 -96.25 -173.4 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 80.3 m95 -136.73 137.36 39.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' N ' ' HE2' ' A' ' 27' ' ' MET . 68.6 m-85 -139.13 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -96.61 143.11 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.22 65.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -82.41 -30.85 29.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -79.33 -29.73 42.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 43' ' ' GLY . 4.9 m -101.91 -41.75 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 42' ' ' VAL . . . 113.94 37.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 55' ' ' TYR . 54.0 mt -122.63 149.3 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -115.2 150.1 36.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 27.6 tt0 -60.68 -36.0 77.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.2 pt-20 -62.19 -32.18 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 48.5 m-80 -90.74 -30.21 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 52' ' ' ILE . . . -51.02 -45.97 61.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.9 p -52.76 -22.76 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' HA ' ' NE1' ' A' ' 72' ' ' TRP . 0.8 OUTLIER -96.13 -15.84 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 49' ' ' ALA . 93.3 mt -83.36 101.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.484 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.4 t70 -69.96 -43.41 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.526 HG23 ' HA3' ' A' ' 31' ' ' GLY . 39.1 mt -134.94 92.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.151 ' CE2' HD13 ' A' ' 28' ' ' ILE . 7.6 t80 -63.76 144.98 56.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.714 ' CE1' HD11 ' A' ' 32' ' ' LEU . 12.9 m170 -121.84 110.12 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.482 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.3 p -46.88 157.43 0.47 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.75 10.5 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -110.24 -30.18 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.1 m -90.22 -31.51 16.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.12 -23.8 22.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.21 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.03 -49.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -79.25 -47.9 15.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 125.75 -151.85 17.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.28 12.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 p -82.86 141.83 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 69' ' ' MET . 32.6 mm -68.59 165.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.599 ' N ' HG22 ' A' ' 68' ' ' ILE . 7.6 mtp -131.43 143.82 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 72' ' ' TRP . 19.2 mttt -64.97 -14.2 59.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.41 47.85 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.496 ' CE2' ' HD2' ' A' ' 70' ' ' LYS . 69.6 m95 -53.24 121.4 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -111.98 42.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.0 t -128.47 78.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.28 136.27 1.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 136.83 33.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -103.16 88.66 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 79' ' ' GLY . 35.4 p -112.97 85.18 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 78' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -151.37 169.55 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.869 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -99.2 174.06 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.69 -178.41 17.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -115.56 140.72 48.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -147.58 163.54 36.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.93 54.22 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.2 mmm -116.5 153.85 31.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.01 127.56 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.8 pt? -73.02 139.44 46.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -109.26 129.47 23.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.163 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.43 21.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . 30.3 m -94.73 153.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.95 -38.45 1.25 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . 4.6 t -67.28 173.91 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.69 -25.13 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.6 p -72.48 -0.1 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 17.0 mmt180 69.33 40.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 46.6 mm-40 -119.38 148.72 46.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.6 Cg_endo -69.76 -54.37 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CG ' ' N ' ' A' ' 22' ' ' ASN . 40.7 t80 -176.9 165.42 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.515 ' N ' ' CG ' ' A' ' 21' ' ' TYR . 6.4 m120 -139.57 116.53 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 24' ' ' ASN . 7.6 p -67.98 -40.99 84.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.0 m120 -59.88 -54.52 45.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -84.55 163.42 19.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 28' ' ' ILE . 7.7 t80 -92.94 153.91 18.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.472 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 48.1 mtp -141.46 144.19 34.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -107.55 175.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.66 ' H ' HG22 ' A' ' 28' ' ' ILE . 19.8 tt0 -127.43 121.15 30.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.1 128.21 35.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.19 27.86 6.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.29 -46.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.55 -6.82 13.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 62.48 46.81 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -116.4 142.61 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -95.09 143.78 26.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 15' ' ' CYS . 42.4 m-85 -144.75 163.86 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' O ' HG22 ' A' ' 42' ' ' VAL . 44.2 m80 -88.53 129.23 35.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.05 -25.08 9.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.1 m -84.3 -33.32 23.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -76.92 -29.7 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG11 ' OH ' ' A' ' 55' ' ' TYR . 27.2 m -98.65 -35.44 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.16 32.52 3.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 97.0 mt -118.43 128.15 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -91.18 137.08 32.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -48.88 -38.66 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 4.8 pt-20 -59.95 -29.13 68.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 18.1 m-80 -86.13 -33.04 20.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.58 -53.08 19.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.05 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' VAL . 6.8 p -50.85 -16.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' C ' ' HE3' ' A' ' 70' ' ' LYS . 28.7 m-20 -105.22 -20.06 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.3 mt -79.99 95.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 12.9 t0 -56.52 -45.15 81.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.0 mt -138.87 103.53 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.478 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.9 t80 -73.82 137.65 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 34.7 m170 -118.04 113.79 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 14.0 p -56.85 157.42 10.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.675 0.75 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.1 Cg_endo -69.85 11.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.28 -31.33 7.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.4 m -92.01 -32.01 15.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -54.11 -25.15 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -0.29 14.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.02 -48.17 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -79.94 -48.77 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.76 -150.46 19.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 177.78 5.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -93.98 134.53 36.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.84 153.4 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 28.6 mtp -127.67 135.94 50.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' CD ' ' HE1' ' A' ' 72' ' ' TRP . 14.7 mttt -66.86 157.43 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -128.57 52.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.523 ' HE1' ' CD ' ' A' ' 70' ' ' LYS . 51.4 p-90 -135.02 -33.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.458 ' N ' ' CE3' ' A' ' 72' ' ' TRP . 7.4 t-160 -48.28 171.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.422 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 40.3 m -93.19 42.56 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.52 138.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.8 Cg_endo -69.78 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.346 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' PRO . 35.2 m -34.38 134.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -121.98 -61.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 p 45.32 42.06 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -69.15 169.19 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.89 -134.06 7.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -163.64 162.97 24.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -96.83 147.06 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.94 161.16 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' ALA . 7.7 ttt -135.76 141.53 44.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -35.51 128.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.2 pt? -123.68 135.54 53.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG23 ' HD2' ' A' ' 12' ' ' PRO . 2.7 p -75.66 137.02 70.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 111.145 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 11' ' ' VAL . 53.7 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 18' ' ' ARG . 27.3 m -86.43 157.13 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -132.71 -35.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.92 -178.75 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.31 -14.53 38.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 p -86.38 8.89 19.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.499 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 10.4 mpt_? 61.49 43.83 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 18' ' ' ARG . 47.0 mm-40 -119.83 144.36 37.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HB3' HG13 ' A' ' 11' ' ' VAL . 53.4 Cg_endo -69.79 -56.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.624 ' CE1' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -178.53 116.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 1.1 m-20 -106.28 70.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.624 HG22 ' CE1' ' A' ' 21' ' ' TYR . 83.4 t -51.16 -32.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -48.0 -21.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -113.49 -81.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 46' ' ' GLU . 12.7 t80 179.77 157.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' A' ' 37' ' ' PHE . 19.2 mtp -165.62 158.2 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.634 HD13 ' CE2' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -134.85 -174.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -136.06 132.6 36.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.74 126.07 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.68 27.96 3.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD13 ' CD1' ' A' ' 64' ' ' PHE . 67.2 mt -128.29 -48.76 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.4 p -114.44 -4.03 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.33 47.05 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.83 154.12 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CE3' ' O ' ' A' ' 28' ' ' ILE . 79.3 m95 -109.55 141.79 41.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' A' ' 27' ' ' MET . 52.3 m-85 -142.64 174.67 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.3 m80 -101.29 157.84 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.04 -29.13 67.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -84.11 -28.83 27.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.6 m -78.8 -31.06 45.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 2.6 m -106.05 -45.24 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 42' ' ' VAL . . . 116.08 42.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 55' ' ' TYR . 94.9 mt -128.55 120.16 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.86 151.34 23.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 26' ' ' PHE . 30.5 tt0 -58.87 -42.37 89.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.54 -28.17 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -91.61 -26.98 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -54.02 -40.83 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 50' ' ' VAL . 8.5 p -62.74 -8.36 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -109.78 -2.55 17.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mt -95.53 93.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 1.9 t70 -58.9 -39.1 80.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.8 mt -145.31 105.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.634 ' CE2' HD13 ' A' ' 28' ' ' ILE . 25.0 t80 -76.8 142.1 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -121.27 108.36 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.9 p -51.59 156.51 2.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.74 7.73 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.712 2.274 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -108.63 -25.02 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.406 ' CB ' HD12 ' A' ' 32' ' ' LEU . 77.0 m -98.0 -30.75 12.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -54.74 -26.87 36.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.3 -5.82 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 t -131.1 -51.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' HD13 ' A' ' 32' ' ' LEU . 53.2 m-85 -75.43 -48.37 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 128.17 -153.24 19.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.2 9.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.13 145.53 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 69' ' ' MET . 17.7 mm -78.33 161.46 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.473 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.6 mtp -133.07 137.62 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 44.2 mttt -57.22 176.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' HB3' ' CA ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -134.03 63.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -61.91 -42.85 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 74' ' ' SER . 4.7 p80 -131.27 -53.89 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 73' ' ' HIS . 12.6 p -41.0 -52.75 3.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' CA ' ' HB3' ' A' ' 71' ' ' ASN . . . 95.69 -146.44 18.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.452 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 84.69 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.9 p -148.87 161.14 42.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 m -101.92 112.68 25.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.492 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 1' ' ' GLY . 90.2 p 32.68 45.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -129.42 143.61 50.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.28 135.22 2.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 p -151.23 148.51 28.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -116.55 -48.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.83 61.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -129.36 176.13 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.733 0.301 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.63 132.9 54.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -118.66 116.18 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.07 131.39 91.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.67 7.8 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.515 HG12 ' C ' ' A' ' 19' ' ' GLN . 30.8 m -102.98 157.85 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -134.95 -44.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.54 175.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.46 -27.14 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 19' ' ' GLN . 3.9 p -68.7 -2.37 9.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' O ' HG11 ' A' ' 13' ' ' VAL . 15.1 mmt180 69.41 39.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.515 ' C ' HG12 ' A' ' 13' ' ' VAL . 43.6 mm-40 -117.56 152.42 49.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 53.3 Cg_endo -69.81 -56.01 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -178.11 142.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.935 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.608 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 5.1 t30 -113.18 160.92 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -112.36 -27.44 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -78.3 -23.22 47.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -119.41 112.18 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 28' ' ' ILE . 4.4 t80 -41.09 151.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.564 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 10.9 mtp -131.94 137.74 48.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -108.45 173.39 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' ILE . 44.8 tt0 -127.39 120.74 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 46.3 t -68.55 128.51 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' HA3' HG23 ' A' ' 54' ' ' ILE . . . -90.06 21.94 28.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -123.39 -43.54 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.64 -4.73 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 62.14 46.08 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.06 177.15 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -128.48 137.9 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -140.15 163.55 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 42' ' ' VAL . 51.7 m80 -89.56 139.08 30.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -59.58 -17.2 40.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 m -89.91 -39.13 13.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.9 m -72.64 -32.25 65.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 38' ' ' HIS . 24.9 m -94.63 -28.73 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.8 32.19 6.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.0 124.69 73.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.39 151.86 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -40.96 97.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.64 -26.16 67.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.38 -29.48 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -52.75 -52.47 56.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 2.5 p -49.9 -17.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.38 -23.58 16.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.3 mt -79.3 101.64 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 70' ' ' LYS . 2.4 t0 -62.99 -46.21 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.535 HG23 ' HA3' ' A' ' 31' ' ' GLY . 31.3 mt -134.35 96.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.466 ' OH ' HG11 ' A' ' 42' ' ' VAL . 1.1 t80 -67.93 132.91 48.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.412 ' N ' ' CD1' ' A' ' 55' ' ' TYR . 30.1 m170 -111.43 110.83 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.449 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . 12.7 p -55.14 156.48 7.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 57' ' ' CYS . 53.7 Cg_endo -69.79 8.88 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.51 -25.74 10.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.8 m -97.34 -31.29 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.25 -19.6 14.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.7 -1.73 32.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.98 -46.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -81.55 -49.31 10.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.31 -151.9 19.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 53.8 Cg_endo -69.77 172.8 11.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 m -89.2 133.42 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 69' ' ' MET . 28.5 mm -63.48 158.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.1 mtp -124.26 140.33 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' HB2' ' A' ' 53' ' ' ASP . 77.6 mttt -59.73 172.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -134.32 50.58 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.458 ' HE1' ' HD3' ' A' ' 70' ' ' LYS . 48.2 p-90 -156.25 154.64 31.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -158.35 107.48 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.7 p -85.77 -37.01 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.71 140.71 15.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 82.75 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.239 . . . . 0.0 112.34 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 t -84.99 78.85 9.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.8 p -90.31 164.66 14.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.485 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_