data_2d8y_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 2d8y _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 ' 16' ' ' GLU . . . . . 0.426 ' CD ' HG21 ' A' ' 37' ' ' VAL . 6.8 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.956 0.407 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 147.54 40.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -67.89 130.4 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' A' ' 38' ' ' PHE . 23.5 m -85.25 15.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -116.79 -57.66 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.1 p -100.25 -13.29 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 68.81 46.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.8 155.13 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -61.8 108.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.0 t -79.83 121.39 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -81.47 162.58 57.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptm -105.79 -27.66 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -117.39 19.9 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -82.13 105.97 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 127.38 32.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -149.07 113.48 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t30 64.17 40.0 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 62.53 33.4 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -146.16 145.55 30.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 HG21 ' CD ' ' A' ' 16' ' ' GLU . 91.8 t -75.47 121.74 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.0 m-85 -128.08 152.15 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.73 123.0 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.7 mp -38.85 -25.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 28.0 t -93.4 -54.75 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -50.55 -39.67 49.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.07 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' CYS . 50.3 mtm180 -147.84 177.34 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.422 ' N ' HD12 ' A' ' 52' ' ' LEU . 41.7 t -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 m -79.28 16.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -120.31 -52.58 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.47 -23.79 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.5 t30 69.73 53.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.13 154.36 25.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.84 132.24 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 45' ' ' CYS . 5.8 mt -130.46 173.62 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -129.71 -176.46 3.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.57 46.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.88 -32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -95.66 -15.96 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 111.156 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.28 176.41 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -172.02 107.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -101.48 145.49 28.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 46.8 tp -118.89 -73.53 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -109.66 34.78 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -30.06 9.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -85.25 142.9 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 9.1 mm -87.79 155.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 74.4 m-85 -156.96 148.66 22.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.9 p -83.96 138.9 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.8 mptp? -29.41 -55.08 0.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.453 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.5 Cg_exo -47.9 -66.18 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 17.8 m170 -62.24 -49.2 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.749 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 1.4 t80 -45.85 -50.97 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.33 -38.77 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -58.65 -23.22 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.78 -49.87 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.749 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.8 m-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.919 0.39 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.76 150.17 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -79.59 132.23 36.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.597 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -87.55 19.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.06 -48.74 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.49 -13.98 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 35.7 mm-40 68.89 50.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 13.7 mptt -125.94 132.79 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 m -41.19 107.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 30' ' ' ARG . 74.5 t -78.22 123.06 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.57 161.9 67.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.733 0.778 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 3.39 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mtt -107.04 -27.73 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -117.35 21.58 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 58.8 ttt180 -85.53 90.47 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -96.32 111.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 129.49 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . . . -152.31 115.79 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 78.6 m-20 62.47 39.2 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.3 38.92 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -149.82 149.8 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.32 119.65 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 34.7 m-85 -128.06 150.0 50.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.94 127.02 35.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -42.15 -23.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 71.7 m -95.2 -55.23 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -49.8 -37.39 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.6 93.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 41' ' ' SER . 54.8 mtm-85 -153.97 167.36 30.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.88 142.51 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 2.5 t -82.93 22.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.607 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.13 -56.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -98.49 -26.22 14.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t30 69.97 41.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -102.19 122.13 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -41.14 131.03 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -114.95 -178.36 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -141.47 146.38 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.3 mt -45.45 109.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.43 -43.98 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -82.99 -41.22 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -48.06 176.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -169.91 106.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.461 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 24.7 p -93.28 168.9 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 tp -128.66 -68.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.49 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 60.9 m170 -117.11 -28.67 6.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.05 -32.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.02 160.45 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 mm -98.89 150.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.6 m-85 -144.43 145.78 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 29.0 p -78.17 134.41 37.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 12.9 mttt -31.53 -53.07 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.5 Cg_exo -47.95 -62.91 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.308 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.3 m170 -62.47 -44.06 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.741 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.9 t80 -50.13 -56.26 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.6 t30 -70.11 2.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -106.79 -34.16 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.93 -26.82 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.741 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.77 145.06 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -65.0 133.02 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.621 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.1 m -87.49 15.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -119.05 -62.51 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -94.78 -8.74 36.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 61.96 54.85 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -126.67 152.83 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 m -59.96 102.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 18' ' ' CYS . 76.9 t -74.55 123.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.66 162.43 55.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.681 0.753 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.311 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.1 ptm -105.87 -26.5 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 6.7 pt-20 -120.67 25.33 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -88.37 101.33 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.87 111.88 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 128.69 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -149.34 112.72 4.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.052 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.4 m120 61.08 44.57 10.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 57.92 38.29 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -147.93 151.15 35.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.0 t -80.02 119.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 32.8 m-85 -127.9 151.08 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -87.6 128.91 35.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.3 mp -45.3 -20.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' HIS . 73.4 m -97.81 -52.09 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.2 m -52.81 -39.16 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.31 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.0 mtt180 -145.8 166.58 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.73 142.85 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t -83.18 27.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.92 -59.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.47 -25.69 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 72.26 53.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -114.81 126.77 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -45.8 135.94 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.54 -174.5 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 m -150.44 151.99 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.3 mt -48.84 101.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.11 -41.94 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 10.0 t -95.81 -35.61 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -53.97 157.91 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' CB ' ' CD2' ' A' ' 70' ' ' PHE . . . -153.59 113.72 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.455 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 2.7 t -104.68 140.21 38.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.8 tp -115.59 -71.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -107.43 39.25 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.48 -25.89 26.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 12.9 mtm105 -88.8 147.29 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mm -89.73 156.07 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.3 m-85 -154.61 145.5 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.479 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . 25.0 p -77.9 150.63 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.561 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 37.1 mmtt -44.76 -47.82 28.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.3 Cg_exo -48.04 -67.15 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.652 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 19.0 m170 -62.63 -47.42 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.781 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 16.2 t80 -48.05 -55.59 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -71.86 2.18 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -106.49 -30.99 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.03 -30.01 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -143.85 155.96 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 32.4 t -80.62 125.45 30.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -79.39 13.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' CD1' ' A' ' 38' ' ' PHE . 10.4 mt-10 -115.76 -54.1 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.49 -7.25 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mp0 62.85 48.19 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -123.11 131.42 53.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m -42.74 105.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 37' ' ' VAL . 93.7 t -74.12 125.14 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.99 163.33 53.77 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.683 0.754 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mmt -99.94 -31.19 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 14.6 pt-20 -115.85 30.19 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' NH2' HD23 ' A' ' 32' ' ' LEU . 49.1 ttt-85 -91.34 105.4 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -111.85 111.58 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -72.94 124.34 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -143.91 110.15 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.5 m-20 62.83 40.78 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 62.25 42.01 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -151.53 145.19 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 25' ' ' VAL . 49.0 t -76.89 117.81 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' HG22 ' A' ' 19' ' ' VAL . 31.3 m-85 -125.84 151.42 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -86.92 122.95 31.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.7 mp -38.76 -25.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' HIS . 33.8 t -93.24 -54.24 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.4 m -50.88 -40.09 55.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -43.86 90.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.7 mtt-85 -141.6 173.51 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 47' ' ' TYR . 31.6 t -84.09 138.37 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 p -81.16 27.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.796 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.76 -53.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 p -103.45 -29.81 10.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.99 54.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 9.6 m-20 -115.32 118.42 33.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -36.92 126.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 19.0 mt -114.26 -174.7 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -143.11 174.49 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.53 48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.86 -30.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.2 p -108.05 11.74 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -96.34 172.24 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -172.52 109.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.473 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -105.61 149.68 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 34.8 tp -115.08 -69.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.546 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.8 m-70 -115.18 47.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.57 6.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -82.31 135.04 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mm -81.84 150.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.2 m-85 -148.33 150.33 33.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 p -80.64 168.15 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 1.7 mptp? -58.05 -54.96 50.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.444 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -59.42 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.796 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.0 m170 -64.39 -49.9 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.782 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 19.6 t80 -49.82 -50.78 43.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.12 -4.06 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 2.6 tp60 -106.43 -55.82 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.49 -26.56 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.946 0.403 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.76 143.11 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 30.6 t -69.64 127.26 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.575 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 29.6 m -83.49 15.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -117.11 -55.42 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -104.16 -13.37 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 19.9 mm-40 66.78 50.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -126.05 131.95 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -39.71 107.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.0 t -78.09 120.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -76.29 159.37 80.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.686 0.755 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 ttt -109.41 -20.41 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 5.8 pt-20 -123.53 26.36 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' NH2' HD22 ' A' ' 32' ' ' LEU . 40.3 ttt-85 -89.91 108.96 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -116.03 108.83 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD22 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -65.75 123.21 19.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . . . -144.19 110.21 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 59' ' ' SER . 18.3 t30 64.84 39.98 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 63.07 35.87 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.97 151.9 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -79.56 119.46 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 29.0 m-85 -125.86 149.88 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -84.94 123.32 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.9 mp -40.0 -24.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.8 t -93.53 -53.42 4.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.5 m -51.34 -42.03 61.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -43.19 90.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 52.4 mtm180 -140.6 172.1 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -81.79 142.4 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -82.17 26.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -134.99 -54.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.2 -26.11 13.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 t30 74.73 40.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -101.15 126.23 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -47.7 132.78 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -123.45 -174.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.45 164.4 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 mt -47.7 111.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.67 -36.13 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD ' ' A' ' 67' ' ' LYS . 50.1 p -92.18 -27.59 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -75.5 174.78 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -171.8 109.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.428 ' HG ' ' ND2' ' A' ' 34' ' ' ASN . 11.4 t -99.43 156.42 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 45.5 tp -129.05 -67.72 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -112.59 32.86 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.25 -26.69 16.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -89.55 146.03 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -89.17 155.07 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -154.24 150.41 28.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.0 p -83.45 136.29 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.4 mptp? -29.24 -55.34 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.536 0.684 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.46 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.7 Cg_exo -48.01 -66.43 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.635 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.3 m170 -59.03 -41.71 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.771 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 17.8 t80 -52.03 -66.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -53.3 -26.62 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -72.9 -68.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.38 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.771 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 149.09 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.54 130.05 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.1 m -85.06 16.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.43 -60.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -99.79 -0.48 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 55.3 49.05 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -123.02 136.12 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -47.62 105.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.4 t -73.21 128.4 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.11 159.46 59.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.661 0.743 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 4.62 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -107.64 -23.39 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -123.0 23.9 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -84.34 100.38 11.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.14 109.16 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.21 123.87 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . . . -146.47 112.33 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 15.0 t-20 67.09 39.83 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 60.56 34.57 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -145.68 149.91 35.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.18 119.51 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.1 m-85 -127.49 157.16 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -91.71 127.43 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.422 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 2.4 mp -43.6 -21.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.7 m -97.03 -54.14 3.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -51.42 -39.26 56.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.9 t80 -47.77 95.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 45.5 mtm180 -151.74 168.8 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.2 t -74.02 141.59 45.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -82.07 23.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.68 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.23 -58.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -95.65 -29.37 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.3 t30 74.98 50.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -109.08 140.2 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 1.8 mtpm? -55.74 131.03 45.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.8 179.29 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 71.6 m -147.5 159.51 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.84 83.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 156.92 -31.8 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -114.5 15.93 17.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -110.25 139.12 45.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.26 103.57 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.411 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -86.32 149.67 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 74' ' ' PHE . 44.9 tp -134.75 89.35 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.8 m170 75.01 25.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.67 -26.91 11.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -84.63 123.93 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -81.77 140.29 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -143.68 147.67 34.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.5 p -82.08 137.11 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -30.5 -54.46 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.0 Cg_exo -47.99 -66.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.2 m170 -59.86 -42.44 93.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 27.2 t80 -55.3 -68.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -52.06 -17.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 13.8 tt0 -84.57 -70.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.09 -28.93 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' CG2' ' A' ' 37' ' ' VAL . 4.7 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.85 145.98 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.6 t -62.52 138.61 58.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.551 HG21 ' CE1' ' A' ' 38' ' ' PHE . 29.1 m -94.2 17.06 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -120.51 -52.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.21 -14.66 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 67.92 52.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -126.88 132.81 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.7 m -41.29 104.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 18' ' ' CYS . 76.9 t -76.42 123.56 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -80.52 161.59 63.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.5 mtt -106.09 -23.55 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -122.12 26.46 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -88.7 98.96 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tt -106.13 109.57 21.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 126.52 29.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.4 113.18 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 67.4 39.57 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 61.98 36.17 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -148.88 155.69 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG2' ' CD ' ' A' ' 16' ' ' GLU . 89.0 t -81.96 120.05 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.551 ' CE1' HG21 ' A' ' 19' ' ' VAL . 35.5 m-85 -126.89 150.43 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -85.62 127.31 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -43.53 -21.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.1 m -96.53 -53.59 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' ARG . 94.5 m -50.9 -39.99 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.99 93.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.1 mtt180 -155.73 146.45 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.0 t -50.83 137.01 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.496 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 5.5 p -81.75 21.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.7 t80 -125.15 -55.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.11 -20.21 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 67.39 48.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -56.61 134.98 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.92 174.1 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.3 p -126.81 -178.78 4.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.9 42.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.65 -33.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 t -98.57 -17.27 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -67.95 150.27 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -148.68 110.76 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.9 p -99.22 149.49 23.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 39.5 tp -128.12 -73.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.03 39.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.28 -27.16 21.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -88.18 152.47 21.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 4.3 mm -94.44 156.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 66.3 m-85 -155.26 145.37 21.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.456 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 27.7 p -78.36 148.42 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 26.4 mmtt -41.54 -49.14 9.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.95 -66.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.3 m170 -62.6 -45.62 92.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 32.8 t80 -47.87 -61.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -54.93 -15.46 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 38.7 tt0 -92.12 -67.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.22 -29.03 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' CD ' HG23 ' A' ' 37' ' ' VAL . 7.1 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.955 0.407 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 150.66 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.75 135.13 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.62 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.7 m -88.16 17.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -120.63 -48.55 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 14.7 p -111.12 -14.44 13.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.455 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 55.5 mm-40 69.43 37.87 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HE3' ' C ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -110.77 136.28 50.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -44.94 103.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.17 126.64 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -82.83 160.7 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.722 0.772 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mtt -107.02 -24.34 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -122.25 27.83 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -90.07 94.47 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -99.22 111.28 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.41 126.74 30.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.17 110.45 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' ND2' ' OH ' ' A' ' 57' ' ' TYR . 1.6 m-80 62.96 49.7 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 53.94 41.07 32.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -151.3 148.43 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG23 ' CD ' ' A' ' 16' ' ' GLU . 96.0 t -80.1 121.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.8 m-85 -129.14 150.24 50.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -85.61 128.8 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.1 -20.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' HIS . 71.7 m -98.68 -51.71 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -52.52 -38.06 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.6 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' CYS . 79.8 mtt180 -146.9 170.86 16.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 47' ' ' TYR . 43.1 t -79.65 136.65 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t -75.65 11.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -118.61 -65.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.9 p -88.25 -21.33 24.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.71 47.32 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -105.58 150.9 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 130.44 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -126.66 -178.95 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' GLY . 57.8 m -162.89 158.04 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 38.5 mt -48.79 90.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 150.15 -31.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 t -119.58 17.9 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' OH ' ' ND2' ' A' ' 34' ' ' ASN . 2.6 p90 -112.38 172.26 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -170.47 118.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 157.82 17.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 55.2 tp -128.48 -65.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.422 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 98.0 m-70 -113.78 38.45 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.66 -30.3 10.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -83.06 158.35 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.24 150.44 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -151.0 141.35 22.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.4 p -73.12 140.48 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -32.87 -54.1 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.516 0.674 . . . . 0.0 110.912 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.99 -67.23 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.9 m170 -58.66 -46.0 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 4.6 t80 -50.38 -57.5 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -73.09 -28.18 62.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.57 -29.51 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.67 -56.64 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.0 m-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 30' ' ' ARG . 24.2 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.92 148.58 40.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.95 134.94 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 38' ' ' PHE . 30.1 m -89.64 17.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 42' ' ' CYS . 13.0 mt-10 -119.54 -51.06 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.74 -13.03 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 54.0 mm-40 68.75 50.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.7 mptm? -125.86 133.56 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 m -43.26 106.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.413 ' CG2' HG11 ' A' ' 37' ' ' VAL . 79.0 t -74.03 124.22 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -81.96 161.46 60.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.8 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mtt -104.61 -26.0 12.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.13 23.37 11.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 36.7 ttt180 -85.01 108.16 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tt -116.06 107.95 15.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 126.08 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.36 114.77 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.3 m120 64.53 37.08 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 62.88 35.99 13.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -147.72 150.46 34.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 ' CG2' ' A' ' 25' ' ' VAL . 52.4 t -77.52 121.61 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 19' ' ' VAL . 34.9 m-85 -129.39 149.46 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.79 122.58 30.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 mp -39.0 -25.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' HIS . 23.3 t -92.79 -55.02 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HB3' ' CD ' ' A' ' 20' ' ' GLU . 92.9 m -49.63 -41.6 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.34 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -154.87 156.65 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 49' ' ' ASN . 46.9 t -56.68 134.27 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.8 p -72.26 4.23 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -113.24 -66.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -89.07 -27.56 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 60.2 t30 69.48 48.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -104.18 123.34 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -38.44 130.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 mt -118.57 -177.51 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -148.28 142.07 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.2 mt -42.7 110.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.7 -31.99 5.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.4 p -103.77 -4.44 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 111.138 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.9 p90 -95.52 139.48 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 70' ' ' PHE . . . -118.5 99.05 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 2.1 t -83.96 143.3 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.606 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.0 tp -105.92 65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 34.5 p80 48.64 51.38 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.42 -34.3 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' SER . 33.3 mmt180 -104.18 170.12 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 mm -123.69 144.15 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -153.58 151.74 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.516 ' O ' ' C ' ' A' ' 67' ' ' LYS . 31.8 p -89.78 139.17 30.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -27.67 -56.37 0.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.01 -66.17 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.783 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 5.4 m170 -60.66 -43.83 97.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.796 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 55.1 t80 -50.0 -52.81 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.7 t30 -72.68 1.78 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -114.67 -23.48 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' HIS . 13.4 mt -108.67 -26.37 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.796 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 146.78 51.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.84 128.42 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.688 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -84.39 15.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -114.34 -53.02 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.92 -16.0 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 71.24 47.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -121.92 135.18 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -42.53 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 30' ' ' ARG . 75.1 t -69.0 132.13 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' N ' HG13 ' A' ' 25' ' ' VAL . 3.6 m-85 -82.97 162.81 53.68 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.669 0.747 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 5.2 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 44.0 mmm -116.38 -30.08 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 3.6 mm-40 -96.58 -14.1 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 59.4 ttt-85 -57.48 110.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -118.12 112.96 20.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -69.83 117.11 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -141.24 108.66 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 3.4 t-20 66.8 41.02 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 61.39 36.01 17.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -149.58 149.84 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.57 135.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 45.1 m-85 -144.51 152.97 41.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.4 m170 -88.96 125.52 35.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.1 mp -41.89 -22.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.3 m -96.15 -50.82 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.6 m -55.13 -36.99 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 1.3 t80 -53.32 86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' CYS . 41.7 mtt180 -145.95 149.23 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 47' ' ' TYR . 41.4 t -56.47 137.3 53.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.513 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.5 p -81.04 25.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.762 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.35 -59.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 1.8 p -93.92 -26.73 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 74.67 51.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 48' ' ' CYS . 62.8 m-80 -121.48 126.92 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -48.12 145.67 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.06 172.61 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -114.41 -179.95 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.59 46.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.66 -30.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.4 p -95.66 -10.89 28.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.28 153.47 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.76 116.65 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -107.81 146.99 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 42.7 tp -122.36 -67.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -111.7 35.79 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.26 -24.16 31.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -91.05 145.01 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -90.35 149.95 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.4 m-85 -148.54 152.77 37.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.538 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.9 p -86.89 136.68 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -26.72 -56.75 0.2 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.8 Cg_exo -48.03 -67.16 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.292 . . . . 0.0 112.305 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.762 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.4 m170 -59.46 -42.14 91.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 16.5 t80 -53.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 91.1 m-20 -53.74 -31.05 46.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -67.85 -69.22 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.41 ' C ' HG21 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -123.74 149.2 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' N ' HG21 ' A' ' 25' ' ' VAL . 46.3 t -79.98 138.06 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 33.6 m -88.68 13.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.39 -56.45 2.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -99.37 -15.45 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 56.47 47.1 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 24' ' ' THR . 14.7 ttmt -107.23 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.462 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.9 m -177.26 121.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.521 HG21 ' N ' ' A' ' 18' ' ' CYS . 59.7 t -101.73 118.49 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -83.8 161.84 54.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.672 0.748 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 5.78 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -111.18 -19.17 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.91 20.26 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 61.1 ttt-85 -80.16 93.33 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tt -95.07 109.38 21.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 126.1 28.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -149.17 118.58 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 73.5 m-20 62.23 38.36 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 59.87 41.61 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -153.73 155.96 36.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' A' ' 25' ' ' VAL . 57.9 t -78.15 125.36 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.6 m-85 -136.21 146.87 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -81.43 135.39 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 1.9 mp -52.03 -14.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -104.91 -47.56 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 44' ' ' ARG . 91.9 m -54.97 -36.11 65.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.74 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' CYS . 67.8 mtt180 -141.84 170.6 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -79.26 143.82 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -83.1 23.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.0 t80 -133.98 -58.68 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 p -97.17 -20.16 18.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.61 49.18 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -107.25 125.3 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -44.77 127.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.77 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 8.3 m -150.89 138.21 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -38.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 144.81 -20.05 1.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.551 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -125.82 18.28 7.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -107.45 171.91 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.42 125.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.476 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 52.9 p -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.6 tp -128.94 -68.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.2 m-70 -117.64 33.13 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.82 -26.58 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -89.56 136.06 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mm -82.86 152.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -149.16 151.28 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -84.63 139.76 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' CYS . 2.7 mptm? -31.04 -54.94 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 64.4 Cg_exo -47.92 -65.79 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.704 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 6.0 m170 -59.53 -41.1 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 22.5 t80 -55.68 -66.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -15.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 33.6 tt0 -90.08 -68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.02 -35.52 77.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.823 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 3.9 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 51.0 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.29 149.32 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.71 136.21 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.576 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.9 m -91.13 18.79 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -121.77 -45.78 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -115.29 -14.41 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.423 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 81.7 mm-40 68.78 50.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.9 mptm? -125.44 131.45 52.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -40.1 104.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.6 t -74.38 120.29 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -77.27 160.49 75.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 3.54 2.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.344 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtp -107.01 -24.32 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -119.75 20.43 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 22.0 ttt180 -82.01 106.19 13.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -112.28 110.64 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 125.26 27.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -148.65 113.48 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 64.97 38.08 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 62.01 37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -148.49 145.64 28.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.53 121.35 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.5 m-85 -128.95 152.74 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.9 m170 -88.87 123.96 33.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -39.17 -24.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 31.2 t -94.25 -54.98 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 90.1 m -50.14 -37.98 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -46.41 89.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' CYS . 61.8 mtm180 -145.2 172.57 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.56 136.38 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -81.38 21.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -125.76 -46.31 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.95 -16.5 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m120 64.26 54.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.31 146.33 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 133.54 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -129.39 -174.23 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.93 175.2 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.83 83.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.0 -26.35 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.4 t -130.67 25.68 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 111.108 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -110.67 158.66 18.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.48 120.24 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 t -113.05 158.4 20.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 28.7 tp -124.25 -68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -114.35 39.67 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.43 -30.44 10.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -85.45 128.97 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mm -75.8 152.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -146.54 149.11 32.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.4 p -82.39 139.66 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.14 -53.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 66.7 Cg_exo -48.02 -65.23 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.793 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 8.4 m170 -60.68 -41.87 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 28.6 t80 -53.94 -69.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -48.1 -19.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 19.2 tt0 -86.07 -72.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.41 -38.64 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.8 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.99 151.48 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.75 127.58 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.8 m -80.9 15.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.68 -55.77 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.82 -10.66 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 66.93 47.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -120.77 150.18 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.8 m -59.1 101.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.32 126.45 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.91 162.42 52.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.3 3.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.45 -28.68 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.84 22.95 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -84.53 94.21 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -99.98 114.59 27.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.43 121.13 21.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.465 ' CB ' ' CE1' ' A' ' 43' ' ' PHE . . . -143.92 111.3 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 68.59 39.45 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 59.99 37.89 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -149.83 150.75 32.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.85 119.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 19' ' ' VAL . 37.5 m-85 -128.5 149.5 50.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -85.89 127.46 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -42.73 -22.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' HIS . 75.7 m -96.91 -53.06 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 75.6 m -53.21 -33.79 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.3 t80 -54.46 83.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 48.7 mtt-85 -140.78 169.57 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.56 141.12 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 20.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.4 t80 -127.8 -54.85 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.12 -11.24 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 64.78 35.89 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -95.31 143.37 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -67.41 151.72 46.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.28 179.24 6.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.7 m -138.35 149.85 46.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.43 104.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.7 -37.63 1.92 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -98.47 -37.98 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 11.1 p90 -53.89 155.81 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.614 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -142.43 109.17 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.8 p -95.25 123.35 38.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 74' ' ' PHE . 49.3 tp -108.38 91.44 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.6 m170 72.74 25.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.12 -32.38 6.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -76.6 121.96 23.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.75 138.97 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -144.08 141.29 29.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.1 p -70.3 169.01 14.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.542 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 9.1 mmtp -60.0 -52.82 70.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.04 -64.23 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 23.4 m170 -60.03 -51.1 71.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.614 ' CD1' ' HB2' ' A' ' 58' ' ' ALA . 82.5 t80 -48.38 -20.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.86 -28.05 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' HIS . 27.6 tp60 -90.6 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt -48.25 -27.7 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' HA ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.96 145.83 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 t -67.41 127.37 32.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.2 m -84.53 15.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -116.36 -57.02 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.96 -12.32 18.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 66.89 50.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -126.33 134.43 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 m -43.43 108.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.8 t -78.69 122.36 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.91 161.68 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.704 0.764 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.93 4.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 ttm -104.82 -25.2 12.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -120.18 22.75 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -84.03 106.55 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -115.22 105.81 13.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.27 128.2 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.552 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.11 112.23 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' CG ' ' OG ' ' A' ' 59' ' ' SER . 28.4 t30 64.69 37.84 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 64.59 36.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -148.16 148.25 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -76.17 120.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 31.8 m-85 -128.86 150.54 50.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' SER . 6.0 m170 -86.17 124.75 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mp -40.55 -24.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' HIS . 29.1 t -94.06 -54.36 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 90.9 m -50.77 -40.17 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -42.22 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 55.3 mtm180 -153.3 171.41 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.4 t -75.13 142.19 43.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -83.57 26.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -133.49 -52.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -104.6 -24.68 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.39 45.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -100.54 146.04 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 135.9 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -128.55 -179.18 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -150.38 160.11 43.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -55.61 98.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.88 -39.39 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -99.62 8.12 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -112.13 142.3 44.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.574 ' CB ' ' CD2' ' A' ' 70' ' ' PHE . . . -124.62 103.7 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 34' ' ' ASN . 79.9 p -88.05 127.88 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.665 ' CD2' ' CZ ' ' A' ' 74' ' ' PHE . 20.4 tp -123.04 98.04 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 74.66 24.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.84 -23.77 32.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.54 130.1 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.2 mm -84.26 146.11 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -149.91 148.34 29.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -83.53 136.04 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' CYS . 1.9 mptp? -29.98 -54.61 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.8 Cg_exo -47.98 -67.59 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.545 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.3 m170 -59.16 -43.76 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 11.7 t80 -52.16 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -17.0 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -80.3 -57.65 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.95 147.42 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 25' ' ' VAL . 49.1 t -67.58 136.45 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.4 m -91.37 14.57 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -117.04 -56.64 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.24 -13.61 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 67.39 50.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.61 132.1 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.8 m -40.7 105.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 18' ' ' CYS . 83.1 t -75.4 126.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -84.56 160.37 56.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.42 2.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -107.27 -22.56 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 5.9 pt-20 -123.77 21.67 9.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -83.49 106.33 15.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 tt -113.68 112.4 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.36 123.51 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . . . -146.21 111.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' ND2' ' OG ' ' A' ' 59' ' ' SER . 21.8 t30 70.13 37.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 61.64 38.25 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -149.77 150.8 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.57 122.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.1 m-85 -132.19 149.38 52.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.06 124.67 32.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.8 mp -38.95 -25.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -93.89 -54.71 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 86.9 m -49.55 -40.04 36.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 33' ' ' ALA . 1.6 t80 -47.54 87.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' CYS . 62.8 mtt180 -151.91 156.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.73 139.18 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -81.47 17.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.5 t80 -124.57 -58.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.48 -17.92 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.24 42.99 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.36 147.94 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -65.3 129.16 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -123.36 178.24 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.3 p -131.84 -175.63 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.67 46.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.79 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -95.21 -12.37 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -74.05 165.76 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.0 112.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.405 ' OG ' ' ND2' ' A' ' 34' ' ' ASN . 65.9 p -101.75 148.07 25.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 41.2 tp -118.44 -68.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 24.2 m170 -117.38 -23.04 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.82 -30.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -92.25 147.24 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -88.63 155.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -150.33 151.36 32.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.2 p -85.11 138.83 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -30.54 -55.33 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -67.06 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.5 m170 -58.93 -46.86 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.801 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 15.4 t80 -48.44 -64.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -24.4 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 34.1 tt0 -77.4 -66.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.48 -32.36 73.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.801 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.939 0.4 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 150.77 48.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' N ' HG22 ' A' ' 25' ' ' VAL . 49.5 t -73.64 135.2 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.584 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -88.99 15.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.31 -55.36 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -102.66 -12.33 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 79.7 mm-40 66.68 52.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 4.3 mptp? -126.57 138.1 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -47.45 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 18' ' ' CYS . 87.6 t -75.31 127.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.83 162.39 52.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ptm -107.58 -25.17 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 7.3 pt-20 -121.66 27.37 8.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -90.18 96.28 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -101.82 114.68 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.14 125.32 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . . . -145.85 110.25 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 59' ' ' SER . 3.3 m120 62.01 49.19 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 54.34 38.83 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -149.68 148.38 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.4 t -78.26 121.9 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 19' ' ' VAL . 30.0 m-85 -128.35 151.13 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -87.2 125.87 34.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 2.8 mp -40.95 -23.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 39' ' ' HIS . 74.0 m -95.93 -54.07 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.9 m -51.06 -37.73 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 33' ' ' ALA . 2.0 t80 -45.66 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' CYS . 54.5 mtm180 -146.94 167.63 23.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 47' ' ' TYR . 39.3 t -75.87 135.83 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.2 p -78.86 18.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -123.96 -52.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.23 -18.16 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.47 49.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -106.15 148.39 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 137.26 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -134.01 -174.75 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -157.3 -177.52 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.1 mt -77.48 42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 -30.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -125.14 31.43 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -111.99 164.15 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -167.24 121.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 34' ' ' ASN . 9.3 t -114.17 156.54 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 32.0 tp -123.91 -67.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.37 41.09 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.5 -31.03 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -84.41 129.62 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.59 158.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 59.7 m-85 -154.26 152.69 30.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.0 p -86.35 140.34 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.74 -53.67 0.61 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 64.3 Cg_exo -48.0 -66.01 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.668 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.2 m170 -60.11 -41.9 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.81 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 27.4 t80 -54.26 -69.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -50.3 -19.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 32.0 tt0 -82.77 -70.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.74 -33.91 73.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.81 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 152.2 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -77.51 135.1 38.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 38' ' ' PHE . 34.8 m -90.56 18.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -121.11 -48.11 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.78 -13.02 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 68.72 51.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -127.61 134.74 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.449 ' CG2' HG13 ' A' ' 37' ' ' VAL . 93.0 t -71.04 127.38 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -81.86 161.19 61.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.667 0.746 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.57 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.55 -31.59 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -113.28 23.16 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -83.98 100.58 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tt -106.96 107.65 18.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 123.41 21.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.521 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.67 111.89 5.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 14.8 t-20 65.69 41.01 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 59.42 36.34 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -147.13 147.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 HG13 ' CG2' ' A' ' 25' ' ' VAL . 44.8 t -75.43 119.76 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 19' ' ' VAL . 36.0 m-85 -128.52 149.13 50.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -86.13 126.44 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.85 -23.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.3 t -95.8 -53.25 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -52.09 -39.25 59.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -45.81 90.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.4 mtm180 -147.07 176.85 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.83 137.78 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -79.82 15.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -122.75 -54.61 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -104.16 -20.66 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.28 48.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -104.39 140.82 37.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -53.33 146.69 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.8 mt -140.98 170.41 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -140.02 158.42 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.15 103.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.11 -36.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -98.63 -43.63 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -46.11 168.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.6 ' HB2' ' CD2' ' A' ' 70' ' ' PHE . . . -166.02 113.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 12.9 t -103.19 154.27 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 31.4 tp -123.75 -63.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -118.03 35.63 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.5 -30.05 10.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -87.4 139.9 30.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 8.2 mm -81.31 161.13 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 56.7 m-85 -157.49 140.96 15.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.447 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 31.8 p -74.09 144.67 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.612 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 18.0 mmtt -37.69 -51.36 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.5 Cg_exo -47.89 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 11.6 m170 -59.19 -44.37 92.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.811 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 34.0 t80 -52.2 -69.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.51 -16.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 12.4 tt0 -87.76 -69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.78 -39.57 92.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.811 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 5.4 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.48 153.43 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 31.3 t -78.92 124.32 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 29.4 m -79.5 13.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -114.88 -58.48 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.83 -12.83 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 86.5 mm-40 67.82 50.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.15 133.06 51.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -45.02 104.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t -72.96 129.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.05 162.25 49.99 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.695 0.76 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 53.8 Cg_endo -69.75 4.74 2.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.417 ' CE ' ' HG2' ' A' ' 27' ' ' PRO . 2.2 mpt? -107.3 -33.5 7.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -113.03 23.33 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -85.82 104.94 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -112.87 108.42 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 126.84 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -147.05 114.52 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.541 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 53.0 m-20 62.45 41.15 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 61.21 38.2 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -150.16 151.19 32.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.72 120.32 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 30.0 m-85 -127.53 151.47 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -88.33 123.37 32.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -38.5 -25.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -50.69 -39.74 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 33' ' ' ALA . 1.4 t80 -48.17 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' CYS . 88.5 mtt180 -147.86 161.48 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -66.19 139.13 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -83.95 27.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.1 t80 -131.82 -56.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 p -98.48 -26.36 14.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.9 t30 74.79 40.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 143.6 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.15 135.02 57.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -126.95 175.07 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -145.74 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -49.18 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.85 -34.32 2.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.3 p -96.92 -31.39 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 111.114 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 10.8 p90 -61.79 165.37 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.22 111.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.541 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 39.9 t -96.3 163.4 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 22.4 tp -127.98 -74.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 86.9 m-70 -114.27 -40.18 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.33 30.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -152.4 132.18 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.55 151.05 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -147.92 151.27 35.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.472 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 24.3 p -86.36 147.08 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.657 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 30.4 mmtt -41.81 -48.51 10.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.1 Cg_exo -47.97 -61.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.737 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.4 m170 -68.25 -48.64 64.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.747 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 30.9 t80 -44.22 -59.05 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -51.84 -20.72 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -93.46 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.87 -30.06 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.747 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 66.2 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 146.86 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -70.1 128.37 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -83.27 14.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 42' ' ' CYS . 14.7 mt-10 -117.32 -63.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -94.66 -20.93 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm100 74.5 52.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -127.09 130.78 50.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.2 m -39.14 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.43 123.34 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.44 162.43 58.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.24 2.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -105.6 -27.54 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 8.7 pt-20 -118.46 23.43 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 28.5 ttt180 -85.63 103.54 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -110.73 114.28 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 129.29 37.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -151.27 115.54 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.557 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 71.1 m-20 62.17 39.51 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 61.02 40.74 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -151.6 155.72 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.89 123.25 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.2 m-85 -131.95 150.81 52.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.7 m170 -87.31 124.09 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.6 mp -38.79 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 t -93.65 -53.93 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -51.81 -33.17 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.78 86.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.52 HH11 ' ND2' ' A' ' 49' ' ' ASN . 69.6 mtt180 -139.45 168.35 20.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 47' ' ' TYR . 36.1 t -76.9 139.41 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -81.02 23.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -131.4 -60.75 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p -96.41 -25.17 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.52 ' ND2' HH11 ' A' ' 44' ' ' ARG . 4.8 t30 72.53 54.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.491 ' ND2' ' SG ' ' A' ' 48' ' ' CYS . 83.4 m-20 -115.56 124.99 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 41' ' ' SER . 22.2 tttt -45.5 134.07 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.17 -177.15 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LEU . 16.8 m -153.15 140.07 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.0 mt -37.51 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 138.54 -29.28 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -115.71 15.65 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -108.99 162.54 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . . . -164.01 118.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.557 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 22.7 t -108.12 162.21 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 47.7 tp -133.71 -75.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -104.19 55.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.72 29.34 67.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -142.37 127.13 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.51 142.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -142.16 146.16 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 68' ' ' PRO . 31.3 p -79.15 147.58 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.8 mptp? -39.88 -52.23 5.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 65.5 Cg_exo -48.01 -66.28 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.779 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.4 m170 -59.71 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 24.9 t80 -49.6 -53.64 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.9 t30 -65.22 -2.99 3.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 10.7 tp60 -105.41 -57.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' OE2' ' CG2' ' A' ' 37' ' ' VAL . 27.2 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.14 149.2 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 37.5 t -74.62 128.45 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -83.03 16.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 5.5 mm-40 -118.76 -56.39 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.18 -13.7 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 40.8 mm-40 68.29 51.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -126.18 132.3 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -42.65 103.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.1 t -72.91 126.67 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.8 161.58 57.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.715 0.769 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.74 -27.69 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -118.26 26.16 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 39.1 ttt-85 -87.48 104.44 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.54 111.25 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -71.07 128.82 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -149.62 112.91 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 61.93 41.38 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 61.09 42.02 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -153.42 148.28 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.459 ' CG2' ' OE2' ' A' ' 16' ' ' GLU . 58.6 t -78.33 117.72 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.558 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 32.4 m-85 -124.08 150.85 44.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.6 m170 -86.53 123.67 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 mp -39.66 -24.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' HIS . 32.7 t -93.8 -53.86 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.8 m -50.82 -40.7 56.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 2.0 t80 -46.69 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -151.27 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.87 140.63 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.84 28.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.1 t80 -134.84 -51.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -110.03 -16.32 13.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.26 50.29 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 138.29 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -131.01 -177.02 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m -148.71 159.03 44.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.44 103.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.43 -39.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -96.52 -27.04 15.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 4.0 p90 -68.07 141.82 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.643 ' CB ' ' CD1' ' A' ' 70' ' ' PHE . . . -129.0 97.37 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -91.04 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 61' ' ' HIS . 7.3 tp -113.41 122.89 48.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.562 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 92.0 m-70 64.88 25.36 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.48 10.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -79.78 135.9 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 3.9 mm -84.12 157.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ILE . 64.6 m-85 -160.98 159.62 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.68 165.12 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.556 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 8.8 mmtt -55.37 -51.37 80.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.8 Cg_exo -47.92 -64.7 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 27.5 m170 -63.12 -48.72 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' CB ' ' A' ' 58' ' ' ALA . 72.8 t80 -50.57 -15.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -101.33 -21.3 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -89.63 -37.36 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.14 -37.3 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.638 ' CE2' ' CE1' ' A' ' 70' ' ' PHE . 2.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -126.3 106.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -142.37 174.52 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.91 51.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -133.13 148.78 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -169.91 116.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.11 160.77 11.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -83.36 98.43 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -173.49 166.99 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' GLN . 24.4 t80 71.96 48.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' PHE . 43.7 mm-40 -34.71 116.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -35.22 -61.06 0.52 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.554 ' CB ' ' NH1' ' A' ' 15' ' ' ARG . 54.5 Cg_endo -69.73 -163.01 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 47.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.554 ' NH1' ' CB ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -164.09 179.79 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' CD ' HG21 ' A' ' 37' ' ' VAL . 6.8 mm-40 -96.38 165.76 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 147.54 40.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -67.89 130.4 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' A' ' 38' ' ' PHE . 23.5 m -85.25 15.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -116.79 -57.66 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.1 p -100.25 -13.29 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 68.81 46.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.8 155.13 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -61.8 108.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.0 t -79.83 121.39 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -81.47 162.58 57.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptm -105.79 -27.66 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -117.39 19.9 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -82.13 105.97 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 127.38 32.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -149.07 113.48 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t30 64.17 40.0 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 62.53 33.4 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -146.16 145.55 30.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 HG21 ' CD ' ' A' ' 16' ' ' GLU . 91.8 t -75.47 121.74 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.0 m-85 -128.08 152.15 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.73 123.0 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.7 mp -38.85 -25.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 28.0 t -93.4 -54.75 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -50.55 -39.67 49.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.07 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' CYS . 50.3 mtm180 -147.84 177.34 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.422 ' N ' HD12 ' A' ' 52' ' ' LEU . 41.7 t -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 m -79.28 16.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -120.31 -52.58 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.47 -23.79 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.5 t30 69.73 53.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.13 154.36 25.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.84 132.24 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 45' ' ' CYS . 5.8 mt -130.46 173.62 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -129.71 -176.46 3.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.57 46.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.88 -32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -95.66 -15.96 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 111.156 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.28 176.41 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -172.02 107.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -101.48 145.49 28.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 46.8 tp -118.89 -73.53 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -109.66 34.78 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -30.06 9.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -85.25 142.9 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 9.1 mm -87.79 155.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 74.4 m-85 -156.96 148.66 22.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.9 p -83.96 138.9 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.8 mptp? -29.41 -55.08 0.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.453 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.5 Cg_exo -47.9 -66.18 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 17.8 m170 -62.24 -49.2 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.749 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 1.4 t80 -45.85 -50.97 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.33 -38.77 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -58.65 -23.22 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.78 -49.87 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.749 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.8 m-30 -62.99 -76.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -39.96 152.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.7 p -174.74 -176.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 -175.81 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.53 114.99 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -175.0 111.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -154.42 157.78 39.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.25 171.75 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -94.46 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.3 -62.72 1.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -41.03 147.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.81 148.8 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.9 t -134.43 154.49 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.35 151.4 22.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.2 28.46 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -163.99 131.51 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.5 p -54.76 131.59 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.469 -179.991 . . . . . . . . 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 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -125.97 117.97 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 t -135.55 134.95 39.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.21 109.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -160.33 116.4 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 m -159.04 160.3 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.91 160.25 48.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.2 mtp -98.2 85.9 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -125.32 101.17 6.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -159.12 164.7 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -47.63 132.73 13.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -64.09 -58.66 13.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.83 174.49 9.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.75 101.66 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.477 ' HD2' ' CG2' ' A' ' 24' ' ' THR . 9.3 ptt-85 -76.26 173.95 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -99.97 147.44 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.76 150.17 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -79.59 132.23 36.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.597 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -87.55 19.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.06 -48.74 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.49 -13.98 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 35.7 mm-40 68.89 50.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 13.7 mptt -125.94 132.79 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 15' ' ' ARG . 22.7 m -41.19 107.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 30' ' ' ARG . 74.5 t -78.22 123.06 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.57 161.9 67.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.733 0.778 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 3.39 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mtt -107.04 -27.73 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -117.35 21.58 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 58.8 ttt180 -85.53 90.47 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -96.32 111.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 129.49 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . . . -152.31 115.79 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 78.6 m-20 62.47 39.2 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.3 38.92 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -149.82 149.8 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.32 119.65 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 34.7 m-85 -128.06 150.0 50.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.94 127.02 35.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -42.15 -23.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 71.7 m -95.2 -55.23 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -49.8 -37.39 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.6 93.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 41' ' ' SER . 54.8 mtm-85 -153.97 167.36 30.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.88 142.51 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 2.5 t -82.93 22.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.607 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.13 -56.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -98.49 -26.22 14.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t30 69.97 41.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -102.19 122.13 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -41.14 131.03 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -114.95 -178.36 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -141.47 146.38 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.3 mt -45.45 109.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.43 -43.98 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.8 p -82.99 -41.22 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -48.06 176.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -169.91 106.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.461 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 24.7 p -93.28 168.9 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 tp -128.66 -68.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.49 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 60.9 m170 -117.11 -28.67 6.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.05 -32.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.02 160.45 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 mm -98.89 150.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.6 m-85 -144.43 145.78 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 29.0 p -78.17 134.41 37.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 12.9 mttt -31.53 -53.07 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.5 Cg_exo -47.95 -62.91 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.308 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.3 m170 -62.47 -44.06 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.741 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.9 t80 -50.13 -56.26 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.6 t30 -70.11 2.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -106.79 -34.16 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.93 -26.82 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.741 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 -81.95 -56.46 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -58.1 -45.53 87.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 15.5 t -47.32 99.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.4 mppt? -35.8 118.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.41 56.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -111.96 129.41 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -137.26 177.37 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -40.98 129.71 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 84' ' ' PHE . 10.9 pt-20 -119.46 42.77 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.2 53.19 1.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 82' ' ' GLU . 9.8 m-85 -73.84 -44.14 56.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.01 -94.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m 45.77 44.14 10.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.69 145.9 47.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.9 Cg_endo -69.77 2.48 3.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' PRO . 32.4 t -34.58 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -141.92 175.87 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.502 -179.999 . . . . . . . . 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 -0.304 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -143.17 170.66 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -93.41 151.75 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.28 136.62 11.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -113.3 40.69 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -151.64 129.78 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.87 126.28 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 mmt -54.6 112.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -80.14 122.36 26.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -131.84 -58.87 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -89.04 134.05 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.498 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . . . -76.22 -64.0 0.55 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.17 171.11 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -136.86 171.71 14.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -92.46 171.67 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.77 145.06 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -65.0 133.02 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.621 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.1 m -87.49 15.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -119.05 -62.51 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -94.78 -8.74 36.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 61.96 54.85 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -126.67 152.83 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 m -59.96 102.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 18' ' ' CYS . 76.9 t -74.55 123.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.66 162.43 55.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.681 0.753 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.311 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.1 ptm -105.87 -26.5 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 6.7 pt-20 -120.67 25.33 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -88.37 101.33 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.87 111.88 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 128.69 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -149.34 112.72 4.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.052 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.4 m120 61.08 44.57 10.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 57.92 38.29 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -147.93 151.15 35.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.0 t -80.02 119.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 32.8 m-85 -127.9 151.08 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -87.6 128.91 35.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.3 mp -45.3 -20.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' HIS . 73.4 m -97.81 -52.09 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.2 m -52.81 -39.16 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.31 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.0 mtt180 -145.8 166.58 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.73 142.85 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t -83.18 27.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.92 -59.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.47 -25.69 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 72.26 53.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -114.81 126.77 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -45.8 135.94 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.54 -174.5 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 m -150.44 151.99 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.3 mt -48.84 101.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.11 -41.94 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 10.0 t -95.81 -35.61 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -53.97 157.91 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' CB ' ' CD2' ' A' ' 70' ' ' PHE . . . -153.59 113.72 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.455 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 2.7 t -104.68 140.21 38.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.8 tp -115.59 -71.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -107.43 39.25 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.48 -25.89 26.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 12.9 mtm105 -88.8 147.29 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mm -89.73 156.07 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.3 m-85 -154.61 145.5 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.479 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . 25.0 p -77.9 150.63 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.561 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 37.1 mmtt -44.76 -47.82 28.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.3 Cg_exo -48.04 -67.15 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.652 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 19.0 m170 -62.63 -47.42 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.781 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 16.2 t80 -48.05 -55.59 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -71.86 2.18 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -106.49 -30.99 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.03 -30.01 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 -80.21 -54.14 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -39.09 84.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -76.64 104.32 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 173.38 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.9 -73.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -78.61 153.94 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -123.98 152.22 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -141.8 162.1 36.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -103.36 33.19 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.32 -77.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' GLY . 29.7 m-85 -53.82 -50.13 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' PHE . . . -36.14 135.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.73 166.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -85.99 106.18 16.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 165.04 14.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.528 -179.975 . . . . . . . . 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 -0.33 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -164.97 132.88 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -107.27 82.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.09 56.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -114.39 90.84 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -159.94 167.82 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.25 41.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.7 ptt? -108.58 -42.6 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -103.95 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.74 -46.34 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -56.61 116.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -58.38 -59.97 11.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.76 117.91 5.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -35.18 129.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' CD ' HG21 ' A' ' 24' ' ' THR . 15.4 ttm180 -95.27 132.85 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -87.99 153.43 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -143.85 155.96 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 32.4 t -80.62 125.45 30.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG22 ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -79.39 13.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' CD1' ' A' ' 38' ' ' PHE . 10.4 mt-10 -115.76 -54.1 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.49 -7.25 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mp0 62.85 48.19 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -123.11 131.42 53.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.487 HG21 ' CD ' ' A' ' 15' ' ' ARG . 8.8 m -42.74 105.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 37' ' ' VAL . 93.7 t -74.12 125.14 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.99 163.33 53.77 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.683 0.754 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mmt -99.94 -31.19 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 14.6 pt-20 -115.85 30.19 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' NH2' HD23 ' A' ' 32' ' ' LEU . 49.1 ttt-85 -91.34 105.4 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -111.85 111.58 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -72.94 124.34 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -143.91 110.15 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.5 m-20 62.83 40.78 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 62.25 42.01 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -151.53 145.19 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 25' ' ' VAL . 49.0 t -76.89 117.81 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' HG22 ' A' ' 19' ' ' VAL . 31.3 m-85 -125.84 151.42 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -86.92 122.95 31.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.7 mp -38.76 -25.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' HIS . 33.8 t -93.24 -54.24 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.4 m -50.88 -40.09 55.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -43.86 90.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.7 mtt-85 -141.6 173.51 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 47' ' ' TYR . 31.6 t -84.09 138.37 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 p -81.16 27.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.796 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.76 -53.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 p -103.45 -29.81 10.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.99 54.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' LYS . 9.6 m-20 -115.32 118.42 33.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -36.92 126.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 19.0 mt -114.26 -174.7 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -143.11 174.49 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.53 48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.86 -30.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.2 p -108.05 11.74 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -96.34 172.24 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -172.52 109.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.473 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -105.61 149.68 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 34.8 tp -115.08 -69.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.546 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.8 m-70 -115.18 47.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.57 6.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -82.31 135.04 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mm -81.84 150.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.2 m-85 -148.33 150.33 33.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 p -80.64 168.15 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 1.7 mptp? -58.05 -54.96 50.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.444 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -59.42 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.796 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.0 m170 -64.39 -49.9 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.782 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 19.6 t80 -49.82 -50.78 43.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.12 -4.06 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 2.6 tp60 -106.43 -55.82 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.49 -26.56 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 -91.36 -62.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 76' ' ' SER . 11.5 tttp -48.3 -30.41 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 75' ' ' LYS . 8.4 t -33.77 107.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.1 mmmm -34.77 136.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.43 -75.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.534 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 28.6 t-20 -174.74 111.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 44.8 m-85 -167.16 167.22 14.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.19 131.86 55.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -130.36 38.74 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.73 -64.72 1.84 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.66 176.89 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.22 -63.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.0 t -120.2 155.5 33.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.67 120.28 1.07 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -176.21 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -161.37 154.9 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -165.83 128.74 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.473 -179.972 . . . . . . . . 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 -0.336 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -155.15 135.89 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -159.08 148.5 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.66 58.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -97.77 96.01 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 p -151.83 142.48 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.48 163.17 32.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 ttt -141.22 157.07 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.96 -58.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' GLN . 91.0 m-85 -56.86 161.43 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' PHE . 9.1 mm100 -34.4 113.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -35.38 -61.21 0.53 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 54.3 Cg_endo -69.74 147.41 62.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.45 140.51 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -89.72 169.6 11.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.41 173.61 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.76 143.11 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 30.6 t -69.64 127.26 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.575 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 29.6 m -83.49 15.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -117.11 -55.42 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -104.16 -13.37 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 19.9 mm-40 66.78 50.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -126.05 131.95 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -39.71 107.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.0 t -78.09 120.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -76.29 159.37 80.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.686 0.755 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 ttt -109.41 -20.41 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 5.8 pt-20 -123.53 26.36 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' NH2' HD22 ' A' ' 32' ' ' LEU . 40.3 ttt-85 -89.91 108.96 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -116.03 108.83 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD22 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -65.75 123.21 19.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . . . -144.19 110.21 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 59' ' ' SER . 18.3 t30 64.84 39.98 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 63.07 35.87 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.97 151.9 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -79.56 119.46 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 29.0 m-85 -125.86 149.88 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -84.94 123.32 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.9 mp -40.0 -24.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.8 t -93.53 -53.42 4.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.5 m -51.34 -42.03 61.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -43.19 90.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 52.4 mtm180 -140.6 172.1 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -81.79 142.4 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -82.17 26.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -134.99 -54.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.2 -26.11 13.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 t30 74.73 40.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -101.15 126.23 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -47.7 132.78 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -123.45 -174.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.45 164.4 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 mt -47.7 111.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.67 -36.13 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD ' ' A' ' 67' ' ' LYS . 50.1 p -92.18 -27.59 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -75.5 174.78 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -171.8 109.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.428 ' HG ' ' ND2' ' A' ' 34' ' ' ASN . 11.4 t -99.43 156.42 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 45.5 tp -129.05 -67.72 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -112.59 32.86 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.25 -26.69 16.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -89.55 146.03 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -89.17 155.07 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -154.24 150.41 28.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.0 p -83.45 136.29 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.4 mptp? -29.24 -55.34 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.536 0.684 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.46 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.7 Cg_exo -48.01 -66.43 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.635 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.3 m170 -59.03 -41.71 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.771 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 17.8 t80 -52.03 -66.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -53.3 -26.62 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 75' ' ' LYS . 35.7 tt0 -72.9 -68.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.38 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.771 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 -83.7 -63.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' GLN . 33.3 tttt -84.23 175.06 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 36.5 p -159.54 148.15 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -36.22 144.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.34 84.8 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.03 122.57 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -113.63 133.36 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -46.18 99.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.78 41.67 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.06 -40.65 2.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -95.94 95.59 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.392 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -38.76 108.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.1 p -145.93 116.16 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.81 143.51 3.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.5 t -117.37 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' SER . 28.2 m -36.03 119.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.478 179.998 . . . . . . . . 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 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -143.38 129.97 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -142.73 154.7 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.21 -169.84 39.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -131.79 114.85 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -138.08 169.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.01 114.13 3.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtt -133.22 145.5 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -81.39 122.58 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -108.93 135.86 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.93 160.5 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -67.42 -59.76 6.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.74 174.59 9.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 87.35 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -87.97 146.72 25.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -92.96 178.95 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 149.09 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.54 130.05 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.1 m -85.06 16.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.43 -60.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -99.79 -0.48 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 55.3 49.05 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -123.02 136.12 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -47.62 105.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.4 t -73.21 128.4 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.11 159.46 59.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.661 0.743 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 4.62 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -107.64 -23.39 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -123.0 23.9 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -84.34 100.38 11.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.14 109.16 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.21 123.87 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . . . -146.47 112.33 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 15.0 t-20 67.09 39.83 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 60.56 34.57 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -145.68 149.91 35.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.7 t -78.18 119.51 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.1 m-85 -127.49 157.16 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -91.71 127.43 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.422 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 2.4 mp -43.6 -21.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.7 m -97.03 -54.14 3.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -51.42 -39.26 56.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.9 t80 -47.77 95.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 45.5 mtm180 -151.74 168.8 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.2 t -74.02 141.59 45.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -82.07 23.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.68 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.23 -58.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -95.65 -29.37 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.3 t30 74.98 50.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -109.08 140.2 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 1.8 mtpm? -55.74 131.03 45.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.8 179.29 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 71.6 m -147.5 159.51 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.84 83.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 156.92 -31.8 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -114.5 15.93 17.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -110.25 139.12 45.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.26 103.57 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.411 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 1.0 OUTLIER -86.32 149.67 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 74' ' ' PHE . 44.9 tp -134.75 89.35 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.8 m170 75.01 25.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.67 -26.91 11.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -84.63 123.93 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.9 mm -81.77 140.29 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -143.68 147.67 34.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.5 p -82.08 137.11 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -30.5 -54.46 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.0 Cg_exo -47.99 -66.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.2 m170 -59.86 -42.44 93.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 27.2 t80 -55.3 -68.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -52.06 -17.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 13.8 tt0 -84.57 -70.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.09 -28.93 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -82.98 -64.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -90.42 138.95 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.3 t -173.85 164.92 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -109.91 50.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.28 174.57 19.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -104.9 145.43 30.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -139.26 156.3 47.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -141.66 148.04 38.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.57 40.14 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.58 -49.05 6.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -46.5 119.67 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.68 144.28 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.3 t -95.8 -41.66 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.75 75.85 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.77 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 t -57.62 105.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 m -135.17 172.24 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.534 179.966 . . . . . . . . 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 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 m -49.69 -60.74 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -58.32 113.86 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.1 125.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -133.75 145.6 49.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 p -125.35 129.82 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.17 -152.84 10.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.41 89.27 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -89.18 -56.84 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' GLN . 15.2 m-85 -54.32 174.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.7 tp-100 -35.51 117.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . . . -43.51 -66.14 0.49 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.705 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 12' ' ' ALA . 53.3 Cg_endo -69.77 160.85 48.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.97 142.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -125.41 177.62 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' CG2' ' A' ' 37' ' ' VAL . 4.7 mm-40 -103.12 161.7 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.85 145.98 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.6 t -62.52 138.61 58.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.551 HG21 ' CE1' ' A' ' 38' ' ' PHE . 29.1 m -94.2 17.06 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -120.51 -52.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.21 -14.66 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 67.92 52.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -126.88 132.81 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.7 m -41.29 104.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 18' ' ' CYS . 76.9 t -76.42 123.56 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -80.52 161.59 63.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.5 mtt -106.09 -23.55 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -122.12 26.46 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -88.7 98.96 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tt -106.13 109.57 21.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 126.52 29.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.4 113.18 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 67.4 39.57 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 61.98 36.17 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -148.88 155.69 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG2' ' CD ' ' A' ' 16' ' ' GLU . 89.0 t -81.96 120.05 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.551 ' CE1' HG21 ' A' ' 19' ' ' VAL . 35.5 m-85 -126.89 150.43 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -85.62 127.31 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -43.53 -21.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.1 m -96.53 -53.59 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' ARG . 94.5 m -50.9 -39.99 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.99 93.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.1 mtt180 -155.73 146.45 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.0 t -50.83 137.01 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.496 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 5.5 p -81.75 21.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.7 t80 -125.15 -55.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.11 -20.21 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 67.39 48.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -56.61 134.98 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.92 174.1 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.3 p -126.81 -178.78 4.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.9 42.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.65 -33.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 t -98.57 -17.27 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -67.95 150.27 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -148.68 110.76 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.9 p -99.22 149.49 23.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 39.5 tp -128.12 -73.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.03 39.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.28 -27.16 21.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -88.18 152.47 21.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 4.3 mm -94.44 156.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 66.3 m-85 -155.26 145.37 21.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.456 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 27.7 p -78.36 148.42 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 26.4 mmtt -41.54 -49.14 9.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.95 -66.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.3 m170 -62.6 -45.62 92.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 32.8 t80 -47.87 -61.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -54.93 -15.46 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 38.7 tt0 -92.12 -67.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.22 -29.03 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 -88.18 -69.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.83 168.21 18.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -162.43 170.3 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -54.23 -44.82 72.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.29 84.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -155.98 115.87 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.73 139.78 37.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' GLU . 7.2 m-20 -118.42 172.38 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASP . 16.1 mt-10 33.95 42.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.94 55.89 3.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 84' ' ' PHE . 51.7 t80 -127.62 83.31 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.94 158.68 53.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 t -154.28 157.74 39.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.69 155.06 52.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.24 31.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -125.5 150.89 46.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 t -165.27 176.97 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.524 -179.981 . . . . . . . . 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 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -121.47 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -151.09 155.88 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.77 132.84 11.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -124.29 137.36 54.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -158.06 153.28 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.4 59.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -174.94 116.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -55.15 138.24 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -53.84 101.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -81.88 -58.28 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.06 163.09 2.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.55 104.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HD2' ' CG2' ' A' ' 24' ' ' THR . 9.3 ptt180 -46.31 171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' CD ' HG23 ' A' ' 37' ' ' VAL . 7.1 mm-40 -108.33 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 150.66 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -68.75 135.13 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.62 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.7 m -88.16 17.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -120.63 -48.55 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 14.7 p -111.12 -14.44 13.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.455 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 55.5 mm-40 69.43 37.87 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HE3' ' C ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -110.77 136.28 50.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 15' ' ' ARG . 8.1 m -44.94 103.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.17 126.64 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -82.83 160.7 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.722 0.772 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mtt -107.02 -24.34 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -122.25 27.83 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -90.07 94.47 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -99.22 111.28 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.41 126.74 30.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.17 110.45 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' ND2' ' OH ' ' A' ' 57' ' ' TYR . 1.6 m-80 62.96 49.7 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 53.94 41.07 32.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -151.3 148.43 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG23 ' CD ' ' A' ' 16' ' ' GLU . 96.0 t -80.1 121.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.8 m-85 -129.14 150.24 50.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -85.61 128.8 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.1 -20.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' HIS . 71.7 m -98.68 -51.71 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -52.52 -38.06 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.6 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' CYS . 79.8 mtt180 -146.9 170.86 16.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 47' ' ' TYR . 43.1 t -79.65 136.65 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t -75.65 11.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -118.61 -65.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.9 p -88.25 -21.33 24.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.71 47.32 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -105.58 150.9 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 130.44 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -126.66 -178.95 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' GLY . 57.8 m -162.89 158.04 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 38.5 mt -48.79 90.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 150.15 -31.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 t -119.58 17.9 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' OH ' ' ND2' ' A' ' 34' ' ' ASN . 2.6 p90 -112.38 172.26 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -170.47 118.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 157.82 17.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 55.2 tp -128.48 -65.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.422 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 98.0 m-70 -113.78 38.45 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.66 -30.3 10.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -83.06 158.35 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.24 150.44 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -151.0 141.35 22.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.4 p -73.12 140.48 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -32.87 -54.1 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.516 0.674 . . . . 0.0 110.912 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.99 -67.23 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.9 m170 -58.66 -46.0 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 4.6 t80 -50.38 -57.5 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 74.3 m-80 -73.09 -28.18 62.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -71.57 -29.51 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.67 -56.64 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.0 m-30 -55.58 -59.98 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 22.9 tptt -53.6 -35.55 61.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' LYS . 6.5 t -34.48 120.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -40.47 144.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.18 59.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -134.86 6.14 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.952 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -49.12 142.36 7.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -162.66 167.7 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 1.4 tp10 -96.9 -7.58 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.99 44.72 32.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -78.59 117.73 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.66 116.77 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 t -91.56 151.51 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.66 147.33 17.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.09 49.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -124.72 149.37 47.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -73.45 170.83 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.488 -179.972 . . . . . . . . 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 1.452 -0.277 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m -162.82 158.55 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -151.54 144.79 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.35 163.08 22.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -156.64 148.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -124.86 158.54 33.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.14 51.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 mtm -76.9 130.57 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -132.78 136.82 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.08 163.95 32.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -51.14 131.24 27.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . . . -41.28 -64.61 0.59 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.71 177.89 5.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.397 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.34 112.67 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.482 ' CD ' HG23 ' A' ' 24' ' ' THR . 15.7 ttm180 -108.9 139.48 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 30' ' ' ARG . 24.2 mt-10 -99.68 158.02 16.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.92 148.58 40.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.2 t -73.95 134.94 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 38' ' ' PHE . 30.1 m -89.64 17.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 42' ' ' CYS . 13.0 mt-10 -119.54 -51.06 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.74 -13.03 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 54.0 mm-40 68.75 50.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.7 mptm? -125.86 133.56 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.482 HG23 ' CD ' ' A' ' 15' ' ' ARG . 21.5 m -43.26 106.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.413 ' CG2' HG11 ' A' ' 37' ' ' VAL . 79.0 t -74.03 124.22 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -81.96 161.46 60.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.8 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mtt -104.61 -26.0 12.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.13 23.37 11.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 36.7 ttt180 -85.01 108.16 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tt -116.06 107.95 15.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 126.08 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.36 114.77 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.3 m120 64.53 37.08 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 62.88 35.99 13.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -147.72 150.46 34.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 ' CG2' ' A' ' 25' ' ' VAL . 52.4 t -77.52 121.61 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 19' ' ' VAL . 34.9 m-85 -129.39 149.46 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.79 122.58 30.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 mp -39.0 -25.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' HIS . 23.3 t -92.79 -55.02 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HB3' ' CD ' ' A' ' 20' ' ' GLU . 92.9 m -49.63 -41.6 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.34 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -154.87 156.65 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 49' ' ' ASN . 46.9 t -56.68 134.27 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.8 p -72.26 4.23 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -113.24 -66.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -89.07 -27.56 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 60.2 t30 69.48 48.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -104.18 123.34 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -38.44 130.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 mt -118.57 -177.51 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -148.28 142.07 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.2 mt -42.7 110.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.7 -31.99 5.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.4 p -103.77 -4.44 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 111.138 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.9 p90 -95.52 139.48 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 70' ' ' PHE . . . -118.5 99.05 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 2.1 t -83.96 143.3 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.606 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.0 tp -105.92 65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 34.5 p80 48.64 51.38 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.42 -34.3 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 59' ' ' SER . 33.3 mmt180 -104.18 170.12 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 mm -123.69 144.15 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -153.58 151.74 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.516 ' O ' ' C ' ' A' ' 67' ' ' LYS . 31.8 p -89.78 139.17 30.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -27.67 -56.37 0.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.01 -66.17 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.783 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 5.4 m170 -60.66 -43.83 97.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.796 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 55.1 t80 -50.0 -52.81 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.7 t30 -72.68 1.78 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -114.67 -23.48 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' HIS . 13.4 mt -108.67 -26.37 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.796 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -91.44 -51.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' SER . 11.8 tppt? -49.99 -42.51 49.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.6 t -37.96 116.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.1 mtmm -33.92 127.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.63 150.18 11.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.79 81.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.72 11.37 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' GLU . 1.9 t70 -62.4 165.42 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASP . 2.3 mm-40 33.66 42.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.33 48.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.76 173.18 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.17 140.69 26.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -122.9 156.08 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.29 160.79 16.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 161.61 45.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.9 p -123.33 141.35 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 t -65.58 99.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.49 -179.983 . . . . . . . . 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 1.45 -0.376 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -166.44 143.44 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -147.82 162.15 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.37 109.99 0.68 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -110.06 140.38 44.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 m -158.3 174.04 15.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.63 94.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.0 mtt -127.27 154.98 44.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -51.54 153.75 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -169.7 150.34 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 23.4 mp0 -79.55 115.78 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -36.11 -59.46 0.8 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 54.1 Cg_endo -69.76 113.2 3.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.06 108.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.647 ' H ' ' NE ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.17 179.08 7.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -96.33 145.99 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 146.78 51.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.84 128.42 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.688 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -84.39 15.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -114.34 -53.02 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.92 -16.0 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 71.24 47.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -121.92 135.18 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -42.53 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 30' ' ' ARG . 75.1 t -69.0 132.13 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' N ' HG13 ' A' ' 25' ' ' VAL . 3.6 m-85 -82.97 162.81 53.68 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.669 0.747 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 5.2 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 44.0 mmm -116.38 -30.08 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 3.6 mm-40 -96.58 -14.1 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 59.4 ttt-85 -57.48 110.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -118.12 112.96 20.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -69.83 117.11 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.549 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -141.24 108.66 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 3.4 t-20 66.8 41.02 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 61.39 36.01 17.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -149.58 149.84 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -75.57 135.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 45.1 m-85 -144.51 152.97 41.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.4 m170 -88.96 125.52 35.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.1 mp -41.89 -22.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.3 m -96.15 -50.82 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.6 m -55.13 -36.99 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.549 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 1.3 t80 -53.32 86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' CYS . 41.7 mtt180 -145.95 149.23 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 47' ' ' TYR . 41.4 t -56.47 137.3 53.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.513 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.5 p -81.04 25.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.762 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.35 -59.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 1.8 p -93.92 -26.73 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 74.67 51.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 48' ' ' CYS . 62.8 m-80 -121.48 126.92 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -48.12 145.67 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.06 172.61 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -114.41 -179.95 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.59 46.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.66 -30.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.4 p -95.66 -10.89 28.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.28 153.47 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.76 116.65 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.458 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -107.81 146.99 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 42.7 tp -122.36 -67.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -111.7 35.79 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.26 -24.16 31.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -91.05 145.01 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -90.35 149.95 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.4 m-85 -148.54 152.77 37.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.538 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.9 p -86.89 136.68 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -26.72 -56.75 0.2 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.8 Cg_exo -48.03 -67.16 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.292 . . . . 0.0 112.305 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.762 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.4 m170 -59.46 -42.14 91.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 16.5 t80 -53.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 91.1 m-20 -53.74 -31.05 46.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 75' ' ' LYS . 14.4 tt0 -67.85 -69.22 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 -76.74 -60.31 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -78.43 148.75 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.453 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 52.6 p -158.31 176.67 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -92.28 100.54 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.73 -158.83 26.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -117.81 134.85 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -150.43 174.98 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.5 151.79 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -122.59 41.25 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -40.05 -85.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -53.92 130.69 38.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.99 84.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -99.97 157.72 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.34 140.31 8.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.75 65.75 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -152.22 156.17 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.4 p -153.96 158.31 40.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.502 -179.945 . . . . . . . . 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 -0.346 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -103.07 90.35 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -162.71 175.18 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.72 116.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 p -152.77 174.96 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -155.17 128.27 8.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.99 85.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mtt -140.84 135.2 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -59.44 115.72 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.3 158.61 43.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.8 149.07 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . . . -60.74 -61.16 8.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 12' ' ' ALA . 53.2 Cg_endo -69.83 2.28 3.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 51.32 53.02 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.86 171.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -87.16 157.94 19.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.41 ' C ' HG21 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -123.74 149.2 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' N ' HG21 ' A' ' 25' ' ' VAL . 46.3 t -79.98 138.06 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 33.6 m -88.68 13.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.39 -56.45 2.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -99.37 -15.45 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 56.47 47.1 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 24' ' ' THR . 14.7 ttmt -107.23 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.462 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.9 m -177.26 121.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.521 HG21 ' N ' ' A' ' 18' ' ' CYS . 59.7 t -101.73 118.49 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -83.8 161.84 54.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.672 0.748 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 5.78 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -111.18 -19.17 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -126.91 20.26 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 61.1 ttt-85 -80.16 93.33 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tt -95.07 109.38 21.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.47 126.1 28.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -149.17 118.58 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 73.5 m-20 62.23 38.36 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 59.87 41.61 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -153.73 155.96 36.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' A' ' 25' ' ' VAL . 57.9 t -78.15 125.36 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.6 m-85 -136.21 146.87 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -81.43 135.39 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 1.9 mp -52.03 -14.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -104.91 -47.56 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 44' ' ' ARG . 91.9 m -54.97 -36.11 65.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.74 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' CYS . 67.8 mtt180 -141.84 170.6 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -79.26 143.82 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -83.1 23.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.0 t80 -133.98 -58.68 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 p -97.17 -20.16 18.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.61 49.18 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -107.25 125.3 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -44.77 127.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.77 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 8.3 m -150.89 138.21 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -38.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 144.81 -20.05 1.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.551 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -125.82 18.28 7.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -107.45 171.91 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.42 125.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.476 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 52.9 p -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.6 tp -128.94 -68.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.2 m-70 -117.64 33.13 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.82 -26.58 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -89.56 136.06 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mm -82.86 152.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -149.16 151.28 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -84.63 139.76 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' CYS . 2.7 mptm? -31.04 -54.94 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 64.4 Cg_exo -47.92 -65.79 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.704 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 6.0 m170 -59.53 -41.1 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 22.5 t80 -55.68 -66.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -15.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 33.6 tt0 -90.08 -68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.02 -35.52 77.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.823 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 3.9 m-85 -77.13 -71.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -79.26 137.64 37.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -172.14 -175.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.92 81.33 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.59 118.31 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.18 107.58 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -141.45 177.47 8.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.72 155.76 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -120.91 42.28 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.18 45.9 1.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -70.9 160.82 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.46 151.47 34.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -149.09 114.05 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.76 137.52 19.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -175.14 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.1 t -101.97 116.8 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -150.31 151.19 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.459 179.992 . . . . . . . . 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 1.452 -0.294 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -75.12 159.78 31.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -54.97 145.37 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 117.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -138.05 172.01 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -120.44 133.37 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 108.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.404 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.2 OUTLIER -49.66 139.08 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -82.59 88.81 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 31.3 tp60 -150.25 163.38 38.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' CB ' ' HD2' ' A' ' 13' ' ' PRO . . . -44.43 170.51 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 12' ' ' ALA . . . -175.93 105.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.55 155.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 51.0 mt-10 -83.0 140.48 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.29 149.32 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.71 136.21 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.576 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.9 m -91.13 18.79 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -121.77 -45.78 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -115.29 -14.41 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.423 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 81.7 mm-40 68.78 50.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.9 mptm? -125.44 131.45 52.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -40.1 104.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.6 t -74.38 120.29 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -77.27 160.49 75.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 3.54 2.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.344 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtp -107.01 -24.32 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -119.75 20.43 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 22.0 ttt180 -82.01 106.19 13.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -112.28 110.64 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 125.26 27.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -148.65 113.48 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 64.97 38.08 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 62.01 37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -148.49 145.64 28.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.53 121.35 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.5 m-85 -128.95 152.74 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.9 m170 -88.87 123.96 33.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -39.17 -24.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 31.2 t -94.25 -54.98 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 90.1 m -50.14 -37.98 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -46.41 89.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' CYS . 61.8 mtm180 -145.2 172.57 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.56 136.38 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -81.38 21.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -125.76 -46.31 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.95 -16.5 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m120 64.26 54.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.31 146.33 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 133.54 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -129.39 -174.23 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.93 175.2 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.83 83.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.0 -26.35 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.4 t -130.67 25.68 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 111.108 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -110.67 158.66 18.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.48 120.24 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 t -113.05 158.4 20.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 28.7 tp -124.25 -68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -114.35 39.67 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.43 -30.44 10.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -85.45 128.97 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mm -75.8 152.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -146.54 149.11 32.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.4 p -82.39 139.66 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.14 -53.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 66.7 Cg_exo -48.02 -65.23 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.793 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 8.4 m170 -60.68 -41.87 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 28.6 t80 -53.94 -69.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -48.1 -19.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 19.2 tt0 -86.07 -72.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.41 -38.64 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.8 m-85 -72.94 -62.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -172.31 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m 74.23 43.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' GLY . 2.3 tppp? -125.59 154.58 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -37.66 154.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -41.48 106.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -146.36 161.92 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.58 24.08 13.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -125.24 42.72 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.53 73.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -87.35 141.64 28.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.09 124.82 7.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.9 m -159.16 113.92 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -174.62 137.99 4.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.17 41.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -46.17 125.18 6.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -114.06 128.06 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.473 179.964 . . . . . . . . 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 -0.354 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -51.86 117.85 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -164.2 146.41 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.59 165.42 13.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 m -136.78 133.1 35.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.9 p -70.71 134.76 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.12 -167.84 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.31 85.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -105.99 -53.12 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -82.02 177.86 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -52.04 117.51 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -67.16 -56.29 13.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.79 163.97 36.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 132.54 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -85.51 140.36 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -91.66 173.53 7.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.99 151.48 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.75 127.58 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.8 m -80.9 15.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.68 -55.77 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.82 -10.66 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 66.93 47.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -120.77 150.18 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.8 m -59.1 101.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.6 t -72.32 126.45 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.91 162.42 52.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.3 3.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.45 -28.68 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.84 22.95 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -84.53 94.21 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -99.98 114.59 27.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.43 121.13 21.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.465 ' CB ' ' CE1' ' A' ' 43' ' ' PHE . . . -143.92 111.3 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 68.59 39.45 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 59.99 37.89 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -149.83 150.75 32.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.85 119.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 19' ' ' VAL . 37.5 m-85 -128.5 149.5 50.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -85.89 127.46 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -42.73 -22.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' HIS . 75.7 m -96.91 -53.06 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 75.6 m -53.21 -33.79 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.3 t80 -54.46 83.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 48.7 mtt-85 -140.78 169.57 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.56 141.12 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 20.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.4 t80 -127.8 -54.85 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.12 -11.24 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 64.78 35.89 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -95.31 143.37 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -67.41 151.72 46.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.28 179.24 6.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.7 m -138.35 149.85 46.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.43 104.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.7 -37.63 1.92 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -98.47 -37.98 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 11.1 p90 -53.89 155.81 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.614 ' HB2' ' CD1' ' A' ' 70' ' ' PHE . . . -142.43 109.17 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.8 p -95.25 123.35 38.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 74' ' ' PHE . 49.3 tp -108.38 91.44 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.6 m170 72.74 25.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.12 -32.38 6.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -76.6 121.96 23.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.75 138.97 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -144.08 141.29 29.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.1 p -70.3 169.01 14.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.542 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 9.1 mmtp -60.0 -52.82 70.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.04 -64.23 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 23.4 m170 -60.03 -51.1 71.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.614 ' CD1' ' HB2' ' A' ' 58' ' ' ALA . 82.5 t80 -48.38 -20.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.86 -28.05 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' HIS . 27.6 tp60 -90.6 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt -48.25 -27.7 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' HA ' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -101.25 -67.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.81 140.07 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -172.25 165.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -50.43 -43.73 55.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 47.81 90.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.99 126.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.73 169.11 22.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -126.24 24.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -126.73 76.3 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.28 46.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -121.79 121.35 37.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.17 124.18 2.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -47.4 116.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.71 65.28 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.48 50.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -115.61 105.89 13.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.5 m -62.49 95.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.523 -179.958 . . . . . . . . 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 -0.352 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -119.31 158.62 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -172.72 157.17 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 106.4 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -50.58 127.36 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 t -154.24 119.78 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.93 90.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -125.36 148.89 48.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -165.09 153.05 11.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -111.96 164.99 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -42.86 123.82 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -49.44 -57.0 13.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 54.0 Cg_endo -69.73 -0.95 7.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.39 42.44 31.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.4 171.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -91.74 171.47 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.96 145.83 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 t -67.41 127.37 32.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.2 m -84.53 15.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -116.36 -57.02 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.96 -12.32 18.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 66.89 50.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -126.33 134.43 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 m -43.43 108.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.8 t -78.69 122.36 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.91 161.68 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.704 0.764 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.93 4.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 ttm -104.82 -25.2 12.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -120.18 22.75 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -84.03 106.55 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tt -115.22 105.81 13.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.27 128.2 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.552 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.11 112.23 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' CG ' ' OG ' ' A' ' 59' ' ' SER . 28.4 t30 64.69 37.84 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 64.59 36.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -148.16 148.25 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.6 t -76.17 120.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 31.8 m-85 -128.86 150.54 50.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' SER . 6.0 m170 -86.17 124.75 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mp -40.55 -24.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' HIS . 29.1 t -94.06 -54.36 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 90.9 m -50.77 -40.17 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -42.22 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 55.3 mtm180 -153.3 171.41 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.4 t -75.13 142.19 43.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -83.57 26.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -133.49 -52.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -104.6 -24.68 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.39 45.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -100.54 146.04 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 135.9 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -128.55 -179.18 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -150.38 160.11 43.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -55.61 98.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.88 -39.39 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -99.62 8.12 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -112.13 142.3 44.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.574 ' CB ' ' CD2' ' A' ' 70' ' ' PHE . . . -124.62 103.7 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 34' ' ' ASN . 79.9 p -88.05 127.88 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.665 ' CD2' ' CZ ' ' A' ' 74' ' ' PHE . 20.4 tp -123.04 98.04 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 74.66 24.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.84 -23.77 32.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.54 130.1 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.2 mm -84.26 146.11 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -149.91 148.34 29.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -83.53 136.04 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' CYS . 1.9 mptp? -29.98 -54.61 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.8 Cg_exo -47.98 -67.59 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.545 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.3 m170 -59.16 -43.76 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 11.7 t80 -52.16 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -17.0 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -80.3 -57.65 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 -72.68 -71.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 4.6 tmtm? -76.63 148.85 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -169.95 149.8 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.27 120.53 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.56 120.23 18.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -82.6 153.29 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -143.81 152.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 49.04 24.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.94 40.09 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.96 -39.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.4 127.18 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.57 145.06 9.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -66.98 147.61 53.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.15 -170.88 17.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.18 14.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m -40.58 128.88 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -59.5 148.26 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.468 -179.975 . . . . . . . . 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 1.452 -0.281 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -114.78 114.95 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -74.37 97.36 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.04 -140.66 8.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -168.14 114.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -169.69 125.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.17 107.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -56.31 160.86 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.77 84.65 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -101.61 131.63 47.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -82.75 110.95 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -53.27 -59.48 9.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 53.4 Cg_endo -69.83 4.56 2.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.232 . . . . 0.0 112.341 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 55.55 51.14 13.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -70.95 146.4 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 2.0 mp0 -96.92 159.04 15.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.95 147.42 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 25' ' ' VAL . 49.1 t -67.58 136.45 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.4 m -91.37 14.57 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -117.04 -56.64 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.24 -13.61 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 67.39 50.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.61 132.1 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.8 m -40.7 105.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 18' ' ' CYS . 83.1 t -75.4 126.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -84.56 160.37 56.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.42 2.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -107.27 -22.56 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 5.9 pt-20 -123.77 21.67 9.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -83.49 106.33 15.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 tt -113.68 112.4 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.36 123.51 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . . . -146.21 111.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' ND2' ' OG ' ' A' ' 59' ' ' SER . 21.8 t30 70.13 37.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 61.64 38.25 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -149.77 150.8 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -77.57 122.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.1 m-85 -132.19 149.38 52.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.06 124.67 32.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.8 mp -38.95 -25.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -93.89 -54.71 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 86.9 m -49.55 -40.04 36.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 33' ' ' ALA . 1.6 t80 -47.54 87.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' CYS . 62.8 mtt180 -151.91 156.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.73 139.18 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -81.47 17.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.5 t80 -124.57 -58.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.48 -17.92 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.24 42.99 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.36 147.94 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HG2' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -65.3 129.16 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -123.36 178.24 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.3 p -131.84 -175.63 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.67 46.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.79 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -95.21 -12.37 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -74.05 165.76 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.0 112.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.405 ' OG ' ' ND2' ' A' ' 34' ' ' ASN . 65.9 p -101.75 148.07 25.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 41.2 tp -118.44 -68.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 24.2 m170 -117.38 -23.04 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.82 -30.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -92.25 147.24 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -88.63 155.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -150.33 151.36 32.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.2 p -85.11 138.83 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -30.54 -55.33 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -67.06 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.5 m170 -58.93 -46.86 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.801 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 15.4 t80 -48.44 -64.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -24.4 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 34.1 tt0 -77.4 -66.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.48 -32.36 73.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.801 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -81.98 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 72' ' ' GLN . 3.9 tppt? -83.82 165.97 18.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.3 p -156.76 150.77 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 108.22 19.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . 63.81 -95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 78' ' ' GLY . 21.0 m-80 33.36 46.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.46 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.38 101.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.03 41.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.35 77.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -55.69 130.38 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.54 -165.46 40.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.2 p -112.89 83.72 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.68 -95.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.49 50.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.3 p -88.7 151.52 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.6 t -87.1 134.23 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.502 179.982 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -107.21 94.44 5.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -164.01 139.96 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.17 83.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -126.22 160.2 30.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -145.57 109.0 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.31 74.37 2.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.5 mtt -149.32 112.87 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -162.11 143.82 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -142.96 160.81 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.454 ' NE2' ' CG2' ' A' ' 37' ' ' VAL . 24.3 mt-30 -47.78 166.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' HB3' ' CG ' ' A' ' 15' ' ' ARG . . . -43.94 170.06 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 12' ' ' ALA . 53.3 Cg_endo -69.77 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.234 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 65.57 47.05 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.525 ' CG ' ' HB3' ' A' ' 12' ' ' ALA . 6.7 ptp180 -179.79 165.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -101.39 153.03 20.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 150.77 48.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' N ' HG22 ' A' ' 25' ' ' VAL . 49.5 t -73.64 135.2 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.584 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -88.99 15.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.31 -55.36 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -102.66 -12.33 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 79.7 mm-40 66.68 52.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 4.3 mptp? -126.57 138.1 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -47.45 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 18' ' ' CYS . 87.6 t -75.31 127.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.83 162.39 52.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ptm -107.58 -25.17 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 7.3 pt-20 -121.66 27.37 8.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -90.18 96.28 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -101.82 114.68 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.14 125.32 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . . . -145.85 110.25 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 59' ' ' SER . 3.3 m120 62.01 49.19 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 54.34 38.83 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -149.68 148.38 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 56.4 t -78.26 121.9 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 19' ' ' VAL . 30.0 m-85 -128.35 151.13 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -87.2 125.87 34.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 2.8 mp -40.95 -23.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 39' ' ' HIS . 74.0 m -95.93 -54.07 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.9 m -51.06 -37.73 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 33' ' ' ALA . 2.0 t80 -45.66 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' CYS . 54.5 mtm180 -146.94 167.63 23.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 47' ' ' TYR . 39.3 t -75.87 135.83 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.2 p -78.86 18.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -123.96 -52.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.23 -18.16 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.47 49.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -106.15 148.39 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 137.26 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -134.01 -174.75 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -157.3 -177.52 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.1 mt -77.48 42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 -30.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -125.14 31.43 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -111.99 164.15 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -167.24 121.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.429 ' HB3' ' CG ' ' A' ' 34' ' ' ASN . 9.3 t -114.17 156.54 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 32.0 tp -123.91 -67.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.37 41.09 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.5 -31.03 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -84.41 129.62 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.59 158.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 59.7 m-85 -154.26 152.69 30.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.0 p -86.35 140.34 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.74 -53.67 0.61 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 64.3 Cg_exo -48.0 -66.01 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.668 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.2 m170 -60.11 -41.9 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.81 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 27.4 t80 -54.26 -69.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -50.3 -19.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 32.0 tt0 -82.77 -70.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.74 -33.91 73.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.81 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 -77.8 -64.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -78.6 171.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.9 t -157.94 109.15 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.2 mmmp? -36.14 -56.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.79 -169.76 42.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 60.57 41.08 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -39.71 146.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -131.5 172.46 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.47 43.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.24 72.98 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -135.26 135.22 40.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 173.93 136.11 2.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -130.37 100.23 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.37 121.97 4.3 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 111.42 2.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -70.47 165.3 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 m -154.5 168.2 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.459 -179.996 . . . . . . . . 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 1.45 -0.393 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -91.23 86.03 6.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -122.49 169.31 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.98 100.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -78.49 109.06 12.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -86.77 -45.23 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.04 111.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ptp -80.85 42.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.3 97.49 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -141.43 177.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -47.37 115.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -39.42 -60.9 1.13 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.558 0.694 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.81 149.8 67.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.03 100.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CD ' HG23 ' A' ' 24' ' ' THR . 24.6 ttm180 -96.12 136.51 36.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -88.97 167.97 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 152.2 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -77.51 135.1 38.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 38' ' ' PHE . 34.8 m -90.56 18.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -121.11 -48.11 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.78 -13.02 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 68.72 51.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -127.61 134.74 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.49 HG23 ' CD ' ' A' ' 15' ' ' ARG . 20.5 m -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' CG2' HG13 ' A' ' 37' ' ' VAL . 93.0 t -71.04 127.38 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -81.86 161.19 61.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.667 0.746 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.57 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.55 -31.59 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -113.28 23.16 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -83.98 100.58 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tt -106.96 107.65 18.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.01 123.41 21.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.521 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.67 111.89 5.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 14.8 t-20 65.69 41.01 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 59.42 36.34 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -147.13 147.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 HG13 ' CG2' ' A' ' 25' ' ' VAL . 44.8 t -75.43 119.76 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 19' ' ' VAL . 36.0 m-85 -128.52 149.13 50.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -86.13 126.44 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.85 -23.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.3 t -95.8 -53.25 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -52.09 -39.25 59.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -45.81 90.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.4 mtm180 -147.07 176.85 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.83 137.78 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -79.82 15.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -122.75 -54.61 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -104.16 -20.66 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.28 48.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -104.39 140.82 37.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -53.33 146.69 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.8 mt -140.98 170.41 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -140.02 158.42 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.15 103.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.11 -36.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -98.63 -43.63 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -46.11 168.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.6 ' HB2' ' CD2' ' A' ' 70' ' ' PHE . . . -166.02 113.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.404 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 12.9 t -103.19 154.27 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 31.4 tp -123.75 -63.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -118.03 35.63 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.5 -30.05 10.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -87.4 139.9 30.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 8.2 mm -81.31 161.13 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 56.7 m-85 -157.49 140.96 15.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.447 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 31.8 p -74.09 144.67 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.612 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 18.0 mmtt -37.69 -51.36 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.5 Cg_exo -47.89 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 11.6 m170 -59.19 -44.37 92.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.811 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 34.0 t80 -52.2 -69.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -50.51 -16.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 12.4 tt0 -87.76 -69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.78 -39.57 92.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.811 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 5.4 m-85 -69.89 -57.22 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 8.2 tttt -76.43 175.65 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.1 m -157.84 155.88 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -66.41 123.62 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.14 -156.08 23.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.436 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 28.9 t-20 -134.19 114.99 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ASP . 32.4 m-85 -143.8 157.64 44.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' TYR . 5.1 t70 -37.47 141.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -128.23 41.62 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.41 44.08 3.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.96 129.79 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.6 140.84 15.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -128.51 164.54 22.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.31 161.65 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.25 67.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -55.2 115.6 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -51.21 175.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.488 179.973 . . . . . . . . 0 0 . 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 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -99.48 98.59 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.93 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.8 p -115.55 140.59 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.39 131.54 1.82 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -96.52 149.87 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -155.06 142.08 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.01 135.45 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mmm -122.36 80.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -87.96 103.72 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' ALA . 35.1 p90 -94.74 156.1 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 2.9 pp0? -58.84 77.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' PHE . . . -43.49 -58.82 3.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 111.054 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 54.3 Cg_endo -69.74 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.49 69.47 5.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -147.97 163.68 36.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -98.25 175.53 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.48 153.43 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 31.3 t -78.92 124.32 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 29.4 m -79.5 13.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -114.88 -58.48 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.83 -12.83 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 86.5 mm-40 67.82 50.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.15 133.06 51.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -45.02 104.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.1 t -72.96 129.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.05 162.25 49.99 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.695 0.76 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 53.8 Cg_endo -69.75 4.74 2.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.417 ' CE ' ' HG2' ' A' ' 27' ' ' PRO . 2.2 mpt? -107.3 -33.5 7.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -113.03 23.33 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -85.82 104.94 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -112.87 108.42 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 126.84 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -147.05 114.52 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.541 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 53.0 m-20 62.45 41.15 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 61.21 38.2 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -150.16 151.19 32.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -78.72 120.32 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 30.0 m-85 -127.53 151.47 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -88.33 123.37 32.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -38.5 -25.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -50.69 -39.74 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 33' ' ' ALA . 1.4 t80 -48.17 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' CYS . 88.5 mtt180 -147.86 161.48 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -66.19 139.13 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -83.95 27.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.1 t80 -131.82 -56.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 p -98.48 -26.36 14.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.9 t30 74.79 40.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 143.6 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.15 135.02 57.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -126.95 175.07 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -145.74 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -49.18 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.85 -34.32 2.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.3 p -96.92 -31.39 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 111.114 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 10.8 p90 -61.79 165.37 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.22 111.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.541 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 39.9 t -96.3 163.4 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 22.4 tp -127.98 -74.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 86.9 m-70 -114.27 -40.18 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.33 30.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -152.4 132.18 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.55 151.05 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -147.92 151.27 35.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.472 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 24.3 p -86.36 147.08 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.657 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 30.4 mmtt -41.81 -48.51 10.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.1 Cg_exo -47.97 -61.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.737 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.4 m170 -68.25 -48.64 64.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.747 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 30.9 t80 -44.22 -59.05 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -51.84 -20.72 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -93.46 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.87 -30.06 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.747 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -93.14 -68.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 76' ' ' SER . 4.6 tmtt? -83.78 152.2 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.481 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 89.6 p -155.1 126.09 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -114.27 -53.81 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.49 -87.22 1.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -64.32 150.21 46.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -129.72 148.85 51.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 160.22 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.96 41.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.54 51.09 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -89.34 120.04 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.14 154.48 25.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.9 p -161.75 160.03 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.23 -163.63 24.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 166.41 27.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.0 t -145.74 134.59 22.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.3 t -138.24 173.6 11.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.472 179.982 . . . . . . . . 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 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -163.41 156.41 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -158.29 169.36 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 113.9 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.41 120.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -151.6 146.17 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 82.28 111.72 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 1.6 mpt? -143.18 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -122.89 146.47 47.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -162.97 164.8 25.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.46 ' HB3' ' CD ' ' A' ' 15' ' ' ARG . 8.9 pt20 -84.24 151.12 25.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.662 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . . . -131.39 -72.44 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.662 ' CD ' ' CB ' ' A' ' 12' ' ' ALA . 53.4 Cg_endo -69.77 -54.45 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.75 2.3 . . . . 0.0 112.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -178.15 149.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 11' ' ' GLN . 3.8 ptt180 -165.28 174.13 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 66.2 mt-10 -107.04 148.19 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 146.86 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.5 t -70.1 128.37 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -83.27 14.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 42' ' ' CYS . 14.7 mt-10 -117.32 -63.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -94.66 -20.93 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm100 74.5 52.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -127.09 130.78 50.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.2 m -39.14 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.43 123.34 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.44 162.43 58.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.24 2.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -105.6 -27.54 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 8.7 pt-20 -118.46 23.43 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 28.5 ttt180 -85.63 103.54 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -110.73 114.28 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 129.29 37.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -151.27 115.54 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.557 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 71.1 m-20 62.17 39.51 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 61.02 40.74 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -151.6 155.72 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.89 123.25 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.2 m-85 -131.95 150.81 52.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.7 m170 -87.31 124.09 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 3.6 mp -38.79 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 t -93.65 -53.93 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -51.81 -33.17 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.78 86.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.52 HH11 ' ND2' ' A' ' 49' ' ' ASN . 69.6 mtt180 -139.45 168.35 20.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 47' ' ' TYR . 36.1 t -76.9 139.41 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -81.02 23.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -131.4 -60.75 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p -96.41 -25.17 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.52 ' ND2' HH11 ' A' ' 44' ' ' ARG . 4.8 t30 72.53 54.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.491 ' ND2' ' SG ' ' A' ' 48' ' ' CYS . 83.4 m-20 -115.56 124.99 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 41' ' ' SER . 22.2 tttt -45.5 134.07 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.17 -177.15 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LEU . 16.8 m -153.15 140.07 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' SER . 54.0 mt -37.51 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 138.54 -29.28 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -115.71 15.65 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -108.99 162.54 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . . . -164.01 118.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.557 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 22.7 t -108.12 162.21 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 47.7 tp -133.71 -75.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -104.19 55.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.72 29.34 67.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -142.37 127.13 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.51 142.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -142.16 146.16 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 68' ' ' PRO . 31.3 p -79.15 147.58 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.8 mptp? -39.88 -52.23 5.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 65.5 Cg_exo -48.01 -66.28 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.779 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.4 m170 -59.71 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 24.9 t80 -49.6 -53.64 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.9 t30 -65.22 -2.99 3.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 10.7 tp60 -105.41 -57.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -89.74 -59.09 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -60.37 178.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 78' ' ' GLY . 40.0 t -125.29 84.89 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 34.35 33.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -35.63 -40.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -55.6 174.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.5 11.42 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -159.13 137.69 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.74 37.06 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 -33.49 2.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 84' ' ' PHE . 29.7 t80 63.86 44.68 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.86 115.39 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -125.32 170.69 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.15 92.36 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 172.39 12.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.24 166.22 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -139.26 156.89 46.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.482 179.99 . . . . . . . . 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 N--CA 1.451 -0.329 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -104.57 137.57 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -82.64 93.6 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.74 74.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -136.97 113.72 10.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -50.91 143.37 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.94 53.02 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -42.88 160.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 33.1 tttt -149.64 138.56 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 9' ' ' LYS . 51.2 m-85 -156.62 173.68 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -110.72 141.25 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . -66.86 -60.1 6.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 12' ' ' ALA . 54.1 Cg_endo -69.75 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.387 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.61 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HD2' ' CG2' ' A' ' 24' ' ' THR . 12.2 ptt85 -137.83 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' OE2' ' CG2' ' A' ' 37' ' ' VAL . 27.2 mt-10 -100.29 148.84 24.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.14 149.2 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 37.5 t -74.62 128.45 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -83.03 16.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 5.5 mm-40 -118.76 -56.39 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.18 -13.7 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 40.8 mm-40 68.29 51.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -126.18 132.3 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 15' ' ' ARG . 89.8 m -42.65 103.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.1 t -72.91 126.67 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.8 161.58 57.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.715 0.769 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.74 -27.69 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -118.26 26.16 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 39.1 ttt-85 -87.48 104.44 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -112.54 111.25 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -71.07 128.82 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -149.62 112.91 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 61.93 41.38 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 61.09 42.02 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -153.42 148.28 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.459 ' CG2' ' OE2' ' A' ' 16' ' ' GLU . 58.6 t -78.33 117.72 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.558 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 32.4 m-85 -124.08 150.85 44.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.6 m170 -86.53 123.67 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 mp -39.66 -24.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' HIS . 32.7 t -93.8 -53.86 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 91.8 m -50.82 -40.7 56.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 2.0 t80 -46.69 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -151.27 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.87 140.63 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.84 28.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.1 t80 -134.84 -51.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -110.03 -16.32 13.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.26 50.29 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 138.29 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -131.01 -177.02 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m -148.71 159.03 44.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.44 103.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.43 -39.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -96.52 -27.04 15.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 4.0 p90 -68.07 141.82 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.643 ' CB ' ' CD1' ' A' ' 70' ' ' PHE . . . -129.0 97.37 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.3 m -91.04 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 61' ' ' HIS . 7.3 tp -113.41 122.89 48.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.562 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 92.0 m-70 64.88 25.36 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.48 10.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -79.78 135.9 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 3.9 mm -84.12 157.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ILE . 64.6 m-85 -160.98 159.62 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.68 165.12 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.556 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 8.8 mmtt -55.37 -51.37 80.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.8 Cg_exo -47.92 -64.7 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 27.5 m170 -63.12 -48.72 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' CB ' ' A' ' 58' ' ' ALA . 72.8 t80 -50.57 -15.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -101.33 -21.3 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -89.63 -37.36 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.14 -37.3 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.638 ' CE2' ' CE1' ' A' ' 70' ' ' PHE . 2.9 m-85 -82.18 -61.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -72.36 -178.79 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 p -167.6 172.81 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -155.37 136.83 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.34 64.35 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.57 147.24 27.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -122.23 126.34 48.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -112.49 169.35 8.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -92.06 41.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.98 -43.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -86.92 101.09 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.7 92.37 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 m -118.92 162.58 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.385 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.54 155.66 9.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 170.71 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 t -96.21 114.84 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.4 p -114.2 122.1 45.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.456 -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 ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.8 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.956 0.407 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 147.54 40.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.7 t -67.89 130.4 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' OE1' ' A' ' 36' ' ' GLN . 23.5 m -85.25 15.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -116.79 -57.66 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.1 p -100.25 -13.29 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 68.81 46.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.8 155.13 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -61.8 108.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 91.0 t -79.83 121.39 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -81.47 162.58 57.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptm -105.79 -27.66 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.3 pt-20 -117.39 19.9 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -82.13 105.97 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.1 tt -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -69.11 127.38 32.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.07 113.48 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t30 64.17 40.0 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.3 mt-30 62.53 33.4 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.7 mt-30 -146.16 145.55 30.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 91.8 t -75.47 121.74 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.0 m-85 -128.08 152.15 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.73 123.0 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.85 -25.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 28.0 t -93.4 -54.75 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -50.55 -39.67 49.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.07 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' CYS . 50.3 mtm180 -147.84 177.34 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.7 t -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 m -79.28 16.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -120.31 -52.58 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.47 -23.79 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.5 t30 69.73 53.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.13 154.36 25.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.84 132.24 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -130.46 173.62 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -129.71 -176.46 3.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 32' ' ' LEU . 36.4 mt -77.57 46.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.88 -32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -95.66 -15.96 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 111.156 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.28 176.41 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.02 107.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -101.48 145.49 28.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 46.8 tp -118.89 -73.53 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -109.66 34.78 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -30.06 9.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -85.25 142.9 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 9.1 mm -87.79 155.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 74.4 m-85 -156.96 148.66 22.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.9 p -83.96 138.9 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.8 mptp? -29.41 -55.08 0.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.5 Cg_exo -47.9 -66.18 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 17.8 m170 -62.24 -49.2 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.749 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 1.4 t80 -45.85 -50.97 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.33 -38.77 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 19.5 tt0 -58.65 -23.22 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.78 -49.87 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.749 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.8 m-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' HG21 ' A' ' 37' ' ' VAL . 12.1 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.919 0.39 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.76 150.17 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 25' ' ' VAL . 51.6 t -79.59 132.23 36.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.2 m -87.55 19.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.06 -48.74 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.49 -13.98 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 10.5 mm100 68.89 50.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 13.7 mptt -125.94 132.79 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 m -41.19 107.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG21 HG12 ' A' ' 37' ' ' VAL . 74.5 t -78.22 123.06 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.57 161.9 67.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.733 0.778 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 3.39 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mtt -107.04 -27.73 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.3 pt-20 -117.35 21.58 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HA ' HG11 ' A' ' 25' ' ' VAL . 58.8 ttt180 -85.53 90.47 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -96.32 111.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.91 129.49 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -152.31 115.79 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 78.6 m-20 62.47 39.2 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.3 38.92 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -149.82 149.8 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.684 HG12 HG21 ' A' ' 25' ' ' VAL . 45.2 t -76.32 119.65 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.7 m-85 -128.06 150.0 50.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.94 127.02 35.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -42.15 -23.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 71.7 m -95.2 -55.23 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -49.8 -37.39 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.6 93.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 41' ' ' SER . 54.8 mtm-85 -153.97 167.36 30.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.88 142.51 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 2.5 t -82.93 22.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.607 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.13 -56.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -98.49 -26.22 14.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t30 69.97 41.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -102.19 122.13 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -41.14 131.03 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -114.95 -178.36 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -141.47 146.38 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.3 mt -45.45 109.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.43 -43.98 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.4 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . 62.8 p -82.99 -41.22 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 64' ' ' ILE . 24.8 p90 -48.06 176.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -169.91 106.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.46 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 24.7 p -93.28 168.9 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 tp -128.66 -68.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -117.11 -28.67 6.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.05 -32.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.02 160.45 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 11.8 mm -98.89 150.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.6 m-85 -144.43 145.78 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.504 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 29.0 p -78.17 134.41 37.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 12.9 mttt -31.53 -53.07 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.5 Cg_exo -47.95 -62.91 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.308 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.3 m170 -62.47 -44.06 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.741 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.9 t80 -50.13 -56.26 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.6 t30 -70.11 2.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -106.79 -34.16 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.93 -26.82 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.741 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.717 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.7 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.77 145.06 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -65.0 133.02 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.621 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.1 m -87.49 15.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -119.05 -62.51 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -94.78 -8.74 36.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 61.96 54.85 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -126.67 152.83 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 m -59.96 102.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -74.55 123.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.66 162.43 55.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.681 0.753 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.311 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.1 ptm -105.87 -26.5 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -120.67 25.33 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 32' ' ' LEU . 51.0 ttt-85 -88.37 101.33 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -106.87 111.88 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.78 128.69 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.34 112.72 4.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.052 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.08 44.57 10.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 57.92 38.29 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -147.93 151.15 35.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 16' ' ' GLU . 70.0 t -80.02 119.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.684 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.8 m-85 -127.9 151.08 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.1 m170 -87.6 128.91 35.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.3 mp -45.3 -20.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' HIS . 73.4 m -97.81 -52.09 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.2 m -52.81 -39.16 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.31 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.0 mtt180 -145.8 166.58 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.73 142.85 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t -83.18 27.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.92 -59.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.47 -25.69 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 72.26 53.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -114.81 126.77 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -45.8 135.94 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.54 -174.5 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 m -150.44 151.99 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.3 mt -48.84 101.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.11 -41.94 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 10.0 t -95.81 -35.61 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -53.97 157.91 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -153.59 113.72 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -104.68 140.21 38.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.8 tp -115.59 -71.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -107.43 39.25 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.48 -25.89 26.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 12.9 mtm105 -88.8 147.29 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mm -89.73 156.07 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.3 m-85 -154.61 145.5 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.482 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . 25.0 p -77.9 150.63 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.595 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 37.1 mmtt -44.76 -47.82 28.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.3 Cg_exo -48.04 -67.15 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.652 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 19.0 m170 -62.63 -47.42 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.781 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 16.2 t80 -48.05 -55.59 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -71.86 2.18 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -106.49 -30.99 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.03 -30.01 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -143.85 155.96 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 25' ' ' VAL . 32.4 t -80.62 125.45 30.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 36' ' ' GLN . 27.6 m -79.39 13.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG3' ' CD1' ' A' ' 38' ' ' PHE . 10.4 mt-10 -115.76 -54.1 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.49 -7.25 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.7 mp0 62.85 48.19 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -123.11 131.42 53.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m -42.74 105.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.779 HG21 HG12 ' A' ' 37' ' ' VAL . 93.7 t -74.12 125.14 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.99 163.33 53.77 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.683 0.754 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mmt -99.94 -31.19 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 14.6 pt-20 -115.85 30.19 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.682 ' NH2' HD23 ' A' ' 32' ' ' LEU . 49.1 ttt-85 -91.34 105.4 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -111.85 111.58 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.682 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -72.94 124.34 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.91 110.15 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.5 m-20 62.83 40.78 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.527 ' HA ' HD11 ' A' ' 32' ' ' LEU . 20.4 mt-30 62.25 42.01 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' OE1' HG11 ' A' ' 19' ' ' VAL . 6.3 mt-30 -151.53 145.19 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.779 HG12 HG21 ' A' ' 25' ' ' VAL . 49.0 t -76.89 117.81 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.3 m-85 -125.84 151.42 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -86.92 122.95 31.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.76 -25.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' HIS . 33.8 t -93.24 -54.24 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.4 m -50.88 -40.09 55.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -43.86 90.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.7 mtt-85 -141.6 173.51 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.6 t -84.09 138.37 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 p -81.16 27.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.796 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.76 -53.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 p -103.45 -29.81 10.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 74.99 54.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.6 m-20 -115.32 118.42 33.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -36.92 126.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 19.0 mt -114.26 -174.7 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -143.11 174.49 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' O ' ' A' ' 32' ' ' LEU . 93.5 mt -75.53 48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.86 -30.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.2 p -108.05 11.74 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -96.34 172.24 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.52 109.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.47 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -105.61 149.68 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 34.8 tp -115.08 -69.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -115.18 47.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.57 6.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -82.31 135.04 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 59' ' ' SER . 9.8 mm -81.84 150.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.2 m-85 -148.33 150.33 33.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 p -80.64 168.15 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 1.7 mptp? -58.05 -54.96 50.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -59.42 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.796 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.0 m170 -64.39 -49.9 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.782 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 19.6 t80 -49.82 -50.78 43.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.12 -4.06 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 2.6 tp60 -106.43 -55.82 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.49 -26.56 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' OE1' HG11 ' A' ' 37' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.946 0.403 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.76 143.11 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' HG23 ' A' ' 25' ' ' VAL . 30.6 t -69.64 127.26 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.575 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 29.6 m -83.49 15.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -117.11 -55.42 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -104.16 -13.37 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.443 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 19.9 mm-40 66.78 50.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -126.05 131.95 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -39.71 107.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.758 HG21 HG12 ' A' ' 37' ' ' VAL . 75.0 t -78.09 120.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -76.29 159.37 80.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.686 0.755 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 ttt -109.41 -20.41 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.8 pt-20 -123.53 26.36 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.616 ' NH2' HD23 ' A' ' 32' ' ' LEU . 40.3 ttt-85 -89.91 108.96 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.8 tt -116.03 108.83 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -65.75 123.21 19.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -144.19 110.21 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.3 t30 64.84 39.98 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.9 mt-30 63.07 35.87 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.7 mt-30 -147.97 151.9 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.758 HG12 HG21 ' A' ' 25' ' ' VAL . 87.8 t -79.56 119.46 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.725 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 29.0 m-85 -125.86 149.88 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -84.94 123.32 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.9 mp -40.0 -24.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.8 t -93.53 -53.42 4.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.5 m -51.34 -42.03 61.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -43.19 90.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 52.4 mtm180 -140.6 172.1 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -81.79 142.4 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -82.17 26.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -134.99 -54.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.44 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 3.5 p -101.2 -26.11 13.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 74.73 40.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 48' ' ' CYS . 69.3 m-80 -101.15 126.23 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -47.7 132.78 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -123.45 -174.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.45 164.4 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 mt -47.7 111.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.67 -36.13 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD ' ' A' ' 67' ' ' LYS . 50.1 p -92.18 -27.59 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -75.5 174.78 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -171.8 109.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.4 t -99.43 156.42 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 45.5 tp -129.05 -67.72 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -112.59 32.86 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.25 -26.69 16.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -89.55 146.03 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -89.17 155.07 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -154.24 150.41 28.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.0 p -83.45 136.29 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.4 mptp? -29.24 -55.34 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.536 0.684 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.7 Cg_exo -48.01 -66.43 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.635 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.3 m170 -59.03 -41.71 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.771 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 17.8 t80 -52.03 -66.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -53.3 -26.62 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 35.7 tt0 -72.9 -68.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.38 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.771 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 37' ' ' VAL . 1.3 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 149.09 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.606 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.9 t -66.54 130.05 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.1 m -85.06 16.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.43 -60.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -99.79 -0.48 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 55.3 49.05 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -123.02 136.12 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -47.62 105.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 37' ' ' VAL . 82.4 t -73.21 128.4 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.11 159.46 59.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.661 0.743 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 4.62 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -107.64 -23.39 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -123.0 23.9 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -84.34 100.38 11.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -106.14 109.16 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.21 123.87 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.47 112.33 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 15.0 t-20 67.09 39.83 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.7 mt-30 60.56 34.57 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' OE1' HG11 ' A' ' 19' ' ' VAL . 8.0 mt-30 -145.68 149.91 35.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 25' ' ' VAL . 98.7 t -78.18 119.51 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.1 m-85 -127.49 157.16 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -91.71 127.43 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.422 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 2.4 mp -43.6 -21.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.7 m -97.03 -54.14 3.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -51.42 -39.26 56.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.9 t80 -47.77 95.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 45.5 mtm180 -151.74 168.8 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.2 t -74.02 141.59 45.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -82.07 23.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.68 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.23 -58.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -95.65 -29.37 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.3 t30 74.98 50.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -109.08 140.2 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 1.8 mtpm? -55.74 131.03 45.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.8 179.29 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 71.6 m -147.5 159.51 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.84 83.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 156.92 -31.8 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -114.5 15.93 17.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -110.25 139.12 45.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.26 103.57 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.58 ' OG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -86.32 149.67 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.883 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 44.9 tp -134.75 89.35 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 75.01 25.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.67 -26.91 11.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -84.63 123.93 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.58 HD13 ' OG ' ' A' ' 59' ' ' SER . 7.9 mm -81.77 140.29 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -143.68 147.67 34.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.5 p -82.08 137.11 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -30.5 -54.46 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.0 Cg_exo -47.99 -66.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.2 m170 -59.86 -42.44 93.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 27.2 t80 -55.3 -68.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -52.06 -17.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 13.8 tt0 -84.57 -70.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.09 -28.93 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.883 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 37' ' ' VAL . 4.7 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.85 145.98 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.6 t -62.52 138.61 58.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 38' ' ' PHE . 29.1 m -94.2 17.06 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -120.51 -52.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.21 -14.66 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 67.92 52.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -126.88 132.81 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.7 m -41.29 104.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -76.42 123.56 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -80.52 161.59 63.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.5 mtt -106.09 -23.55 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.8 pt-20 -122.12 26.46 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -88.7 98.96 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.5 tt -106.13 109.57 21.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.98 126.52 29.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.4 113.18 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 67.4 39.57 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.5 mt-30 61.98 36.17 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.458 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.5 mt-30 -148.88 155.69 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG12 HG21 ' A' ' 25' ' ' VAL . 89.0 t -81.96 120.05 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 35.5 m-85 -126.89 150.43 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.4 m170 -85.62 127.31 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -43.53 -21.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.1 m -96.53 -53.59 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' ARG . 94.5 m -50.9 -39.99 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.99 93.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.1 mtt180 -155.73 146.45 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.0 t -50.83 137.01 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.496 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 5.5 p -81.75 21.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.7 t80 -125.15 -55.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.11 -20.21 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 67.39 48.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -56.61 134.98 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.92 174.1 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.3 p -126.81 -178.78 4.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 32' ' ' LEU . 82.4 mt -79.9 42.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.65 -33.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 t -98.57 -17.27 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -67.95 150.27 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -148.68 110.76 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.9 p -99.22 149.49 23.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 39.5 tp -128.12 -73.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.03 39.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.28 -27.16 21.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -88.18 152.47 21.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 4.3 mm -94.44 156.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 66.3 m-85 -155.26 145.37 21.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 27.7 p -78.36 148.42 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 26.4 mmtt -41.54 -49.14 9.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.95 -66.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.3 m170 -62.6 -45.62 92.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 32.8 t80 -47.87 -61.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -54.93 -15.46 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 38.7 tt0 -92.12 -67.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.22 -29.03 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.955 0.407 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 150.66 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.548 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.3 t -68.75 135.13 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.62 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.7 m -88.16 17.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -120.63 -48.55 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 14.7 p -111.12 -14.44 13.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 55.5 mm-40 69.43 37.87 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HE3' ' C ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -110.77 136.28 50.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -44.94 103.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG12 ' A' ' 37' ' ' VAL . 77.4 t -74.17 126.64 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -82.83 160.7 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.722 0.772 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mtt -107.02 -24.34 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HA ' HD13 ' A' ' 40' ' ' ILE . 11.6 pt-20 -122.25 27.83 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -90.07 94.47 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.4 tt -99.22 111.28 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.41 126.74 30.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.17 110.45 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.96 49.7 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 53.94 41.07 32.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -151.3 148.43 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 HG21 ' A' ' 25' ' ' VAL . 96.0 t -80.1 121.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.8 m-85 -129.14 150.24 50.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m170 -85.61 128.8 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.5 mp -45.1 -20.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' HIS . 71.7 m -98.68 -51.71 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 95.6 m -52.52 -38.06 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.6 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' CYS . 79.8 mtt180 -146.9 170.86 16.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.1 t -79.65 136.65 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t -75.65 11.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -118.61 -65.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.9 p -88.25 -21.33 24.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.71 47.32 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -105.58 150.9 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 130.44 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -126.66 -178.95 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' GLY . 57.8 m -162.89 158.04 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 32' ' ' LEU . 38.5 mt -48.79 90.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 150.15 -31.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 t -119.58 17.9 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -112.38 172.26 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -170.47 118.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 157.82 17.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 55.2 tp -128.48 -65.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -113.78 38.45 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.66 -30.3 10.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -83.06 158.35 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.24 150.44 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -151.0 141.35 22.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.4 p -73.12 140.48 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -32.87 -54.1 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.516 0.674 . . . . 0.0 110.912 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.99 -67.23 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.9 m170 -58.66 -46.0 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 4.6 t80 -50.38 -57.5 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -73.09 -28.18 62.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 25.2 tt0 -71.57 -29.51 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.67 -56.64 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.0 m-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' CD ' HG21 ' A' ' 37' ' ' VAL . 24.2 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.92 148.58 40.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.2 t -73.95 134.94 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 38' ' ' PHE . 30.1 m -89.64 17.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' HB3' ' A' ' 42' ' ' CYS . 13.0 mt-10 -119.54 -51.06 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.74 -13.03 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 54.0 mm-40 68.75 50.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.7 mptm? -125.86 133.56 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 m -43.26 106.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.812 HG21 HG12 ' A' ' 37' ' ' VAL . 79.0 t -74.03 124.22 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -81.96 161.46 60.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.8 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mtt -104.61 -26.0 12.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.2 pt-20 -120.13 23.37 11.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 36.7 ttt180 -85.01 108.16 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.0 tt -116.06 107.95 15.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.2 126.08 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.36 114.77 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.3 m120 64.53 37.08 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.0 mt-30 62.88 35.99 13.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' OE1' HG11 ' A' ' 19' ' ' VAL . 6.6 mt-30 -147.72 150.46 34.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.812 HG12 HG21 ' A' ' 25' ' ' VAL . 52.4 t -77.52 121.61 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.9 m-85 -129.39 149.46 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.79 122.58 30.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.0 -25.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' HIS . 23.3 t -92.79 -55.02 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HB3' ' CD ' ' A' ' 20' ' ' GLU . 92.9 m -49.63 -41.6 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.34 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -154.87 156.65 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' ASN . 46.9 t -56.68 134.27 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.8 p -72.26 4.23 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -113.24 -66.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ASN . 7.3 p -89.07 -27.56 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 60.2 t30 69.48 48.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -104.18 123.34 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -38.44 130.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 mt -118.57 -177.51 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -148.28 142.07 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.2 mt -42.7 110.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.7 -31.99 5.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.4 p -103.77 -4.44 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 111.138 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.9 p90 -95.52 139.48 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -118.5 99.05 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 2.1 t -83.96 143.3 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.606 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.0 tp -105.92 65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 34.5 p80 48.64 51.38 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.42 -34.3 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 59' ' ' SER . 33.3 mmt180 -104.18 170.12 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 mm -123.69 144.15 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -153.58 151.74 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.516 ' O ' ' C ' ' A' ' 67' ' ' LYS . 31.8 p -89.78 139.17 30.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -27.67 -56.37 0.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.01 -66.17 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.783 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 5.4 m170 -60.66 -43.83 97.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.796 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 55.1 t80 -50.0 -52.81 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.7 t30 -72.68 1.78 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -114.67 -23.48 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' HIS . 13.4 mt -108.67 -26.37 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.796 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.1 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 146.78 51.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.594 ' N ' HG23 ' A' ' 25' ' ' VAL . 45.7 t -73.84 128.42 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.688 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -84.39 15.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -114.34 -53.02 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.92 -16.0 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 71.24 47.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -121.92 135.18 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -42.53 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 30' ' ' ARG . 75.1 t -69.0 132.13 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.97 162.81 53.68 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.669 0.747 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 5.2 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 44.0 mmm -116.38 -30.08 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.752 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.6 mm-40 -96.58 -14.1 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.645 ' HA ' HG11 ' A' ' 25' ' ' VAL . 59.4 ttt-85 -57.48 110.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -118.12 112.96 20.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD23 HH22 ' A' ' 30' ' ' ARG . 0.2 OUTLIER -69.83 117.11 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -141.24 108.66 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.8 41.02 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.6 mt-30 61.39 36.01 17.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.534 ' OE1' HG11 ' A' ' 19' ' ' VAL . 7.5 mt-30 -149.58 149.84 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 16' ' ' GLU . 94.6 t -75.57 135.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 45.1 m-85 -144.51 152.97 41.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.4 m170 -88.96 125.52 35.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 29' ' ' GLU . 3.1 mp -41.89 -22.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.3 m -96.15 -50.82 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.6 m -55.13 -36.99 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 1.3 t80 -53.32 86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' CYS . 41.7 mtt180 -145.95 149.23 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -56.47 137.3 53.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.513 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.5 p -81.04 25.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.762 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.35 -59.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 1.8 p -93.92 -26.73 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 74.67 51.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 48' ' ' CYS . 62.8 m-80 -121.48 126.92 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -48.12 145.67 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.06 172.61 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -114.41 -179.95 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.59 46.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.66 -30.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.4 p -95.66 -10.89 28.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.28 153.47 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.76 116.65 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -107.81 146.99 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 42.7 tp -122.36 -67.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -111.7 35.79 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.26 -24.16 31.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -91.05 145.01 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -90.35 149.95 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.4 m-85 -148.54 152.77 37.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.538 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.9 p -86.89 136.68 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -26.72 -56.75 0.2 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.8 Cg_exo -48.03 -67.16 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.292 . . . . 0.0 112.305 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.762 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.4 m170 -59.46 -42.14 91.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 16.5 t80 -53.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 91.1 m-20 -53.74 -31.05 46.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -67.85 -69.22 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.74 149.2 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.481 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.3 t -79.98 138.06 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 33.6 m -88.68 13.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.39 -56.45 2.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -99.37 -15.45 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 56.47 47.1 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' THR . 14.7 ttmt -107.23 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.9 m -177.26 121.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.843 HG21 HG12 ' A' ' 37' ' ' VAL . 59.7 t -101.73 118.49 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -83.8 161.84 54.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.672 0.748 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 5.78 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -111.18 -19.17 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 pt-20 -126.91 20.26 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 61.1 ttt-85 -80.16 93.33 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.2 tt -95.07 109.38 21.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.47 126.1 28.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -149.17 118.58 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 73.5 m-20 62.23 38.36 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.4 mt-30 59.87 41.61 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -153.73 155.96 36.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.843 HG12 HG21 ' A' ' 25' ' ' VAL . 57.9 t -78.15 125.36 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.6 m-85 -136.21 146.87 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 3.2 m170 -81.43 135.39 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' GLU . 1.9 mp -52.03 -14.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -104.91 -47.56 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 44' ' ' ARG . 91.9 m -54.97 -36.11 65.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.74 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' CYS . 67.8 mtt180 -141.84 170.6 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -79.26 143.82 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -83.1 23.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.0 t80 -133.98 -58.68 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 p -97.17 -20.16 18.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.61 49.18 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -107.25 125.3 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -44.77 127.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.77 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 8.3 m -150.89 138.21 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -38.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 144.81 -20.05 1.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.551 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -125.82 18.28 7.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -107.45 171.91 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.42 125.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.474 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 52.9 p -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.6 tp -128.94 -68.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -117.64 33.13 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.82 -26.58 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -89.56 136.06 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mm -82.86 152.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -149.16 151.28 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -84.63 139.76 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' CYS . 2.7 mptm? -31.04 -54.94 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 64.4 Cg_exo -47.92 -65.79 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.704 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 6.0 m170 -59.53 -41.1 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 22.5 t80 -55.68 -66.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -15.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 33.6 tt0 -90.08 -68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.02 -35.52 77.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.823 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 3.9 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 51.0 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.29 149.32 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 41.9 t -75.71 136.21 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.9 m -91.13 18.79 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -121.77 -45.78 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -115.29 -14.41 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 81.7 mm-40 68.78 50.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.9 mptm? -125.44 131.45 52.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -40.1 104.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG21 HG12 ' A' ' 37' ' ' VAL . 81.6 t -74.38 120.29 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -77.27 160.49 75.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 3.54 2.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.344 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtp -107.01 -24.32 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -119.75 20.43 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 22.0 ttt180 -82.01 106.19 13.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.3 tt -112.28 110.64 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.34 125.26 27.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -148.65 113.48 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 64.97 38.08 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HA ' HD11 ' A' ' 32' ' ' LEU . 35.1 mt-30 62.01 37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -148.49 145.64 28.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 25' ' ' VAL . 61.2 t -74.53 121.35 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.5 m-85 -128.95 152.74 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.9 m170 -88.87 123.96 33.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -39.17 -24.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 31.2 t -94.25 -54.98 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 90.1 m -50.14 -37.98 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -46.41 89.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' CYS . 61.8 mtm180 -145.2 172.57 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.56 136.38 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -81.38 21.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -125.76 -46.31 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.95 -16.5 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m120 64.26 54.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.31 146.33 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 133.54 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -129.39 -174.23 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.93 175.2 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.83 83.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.0 -26.35 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.4 t -130.67 25.68 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 111.108 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -110.67 158.66 18.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.48 120.24 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 64' ' ' ILE . 10.2 t -113.05 158.4 20.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 28.7 tp -124.25 -68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -114.35 39.67 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.43 -30.44 10.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -85.45 128.97 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 59' ' ' SER . 12.8 mm -75.8 152.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -146.54 149.11 32.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.4 p -82.39 139.66 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.14 -53.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 66.7 Cg_exo -48.02 -65.23 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.793 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 8.4 m170 -60.68 -41.87 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 28.6 t80 -53.94 -69.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -48.1 -19.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 19.2 tt0 -86.07 -72.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.41 -38.64 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.8 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.99 151.48 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 42.6 t -80.75 127.58 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.8 m -80.9 15.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.68 -55.77 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.82 -10.66 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.1 mm-40 66.93 47.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -120.77 150.18 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.8 m -59.1 101.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG21 HG12 ' A' ' 37' ' ' VAL . 93.6 t -72.32 126.45 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.91 162.42 52.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.3 3.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.45 -28.68 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.9 pt-20 -117.84 22.95 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -84.53 94.21 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -99.98 114.59 27.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -75.43 121.13 21.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.541 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.92 111.3 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 68.59 39.45 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.501 ' HA ' HD11 ' A' ' 32' ' ' LEU . 18.7 mt-30 59.99 37.89 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' OE1' HG11 ' A' ' 19' ' ' VAL . 10.3 mt-30 -149.83 150.75 32.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.645 HG12 HG21 ' A' ' 25' ' ' VAL . 48.7 t -75.85 119.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 19' ' ' VAL . 37.5 m-85 -128.5 149.5 50.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -85.89 127.46 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.1 mp -42.73 -22.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' HIS . 75.7 m -96.91 -53.06 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 75.6 m -53.21 -33.79 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.3 t80 -54.46 83.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 48.7 mtt-85 -140.78 169.57 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.56 141.12 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 20.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.4 t80 -127.8 -54.85 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.12 -11.24 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 64.78 35.89 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -95.31 143.37 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -67.41 151.72 46.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.28 179.24 6.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.7 m -138.35 149.85 46.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.43 104.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.7 -37.63 1.92 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -98.47 -37.98 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 11.1 p90 -53.89 155.81 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -142.43 109.17 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.8 p -95.25 123.35 38.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' A' ' 74' ' ' PHE . 49.3 tp -108.38 91.44 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 72.74 25.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.12 -32.38 6.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -76.6 121.96 23.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.75 138.97 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -144.08 141.29 29.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.1 p -70.3 169.01 14.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 9.1 mmtp -60.0 -52.82 70.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.04 -64.23 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 23.4 m170 -60.03 -51.1 71.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 82.5 t80 -48.38 -20.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.86 -28.05 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' HIS . 27.6 tp60 -90.6 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt -48.25 -27.7 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' A' ' 37' ' ' VAL . 20.9 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.96 145.83 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.533 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.8 t -67.41 127.37 32.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.2 m -84.53 15.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -116.36 -57.02 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.96 -12.32 18.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 66.89 50.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -126.33 134.43 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 m -43.43 108.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.756 HG21 HG12 ' A' ' 37' ' ' VAL . 82.8 t -78.69 122.36 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.91 161.68 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.704 0.764 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.93 4.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 ttm -104.82 -25.2 12.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 40' ' ' ILE . 10.6 pt-20 -120.18 22.75 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -84.03 106.55 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -115.22 105.81 13.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -67.27 128.2 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.11 112.23 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' CG ' ' OG ' ' A' ' 59' ' ' SER . 28.4 t30 64.69 37.84 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' A' ' 32' ' ' LEU . 27.9 mt-30 64.59 36.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -148.16 148.25 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.773 HG21 ' HB3' ' A' ' 16' ' ' GLU . 57.6 t -76.17 120.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.8 m-85 -128.86 150.54 50.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' SER . 6.0 m170 -86.17 124.75 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.2 mp -40.55 -24.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' HIS . 29.1 t -94.06 -54.36 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 90.9 m -50.77 -40.17 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.5 t80 -42.22 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 55.3 mtm180 -153.3 171.41 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.4 t -75.13 142.19 43.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -83.57 26.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -133.49 -52.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -104.6 -24.68 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.39 45.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -100.54 146.04 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 135.9 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -128.55 -179.18 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -150.38 160.11 43.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -55.61 98.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.88 -39.39 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -99.62 8.12 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -112.13 142.3 44.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -124.62 103.7 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 34' ' ' ASN . 79.9 p -88.05 127.88 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.087 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 20.4 tp -123.04 98.04 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 74.66 24.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.84 -23.77 32.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.54 130.1 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.2 mm -84.26 146.11 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -149.91 148.34 29.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -83.53 136.04 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' CYS . 1.9 mptp? -29.98 -54.61 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.8 Cg_exo -47.98 -67.59 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.545 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.3 m170 -59.16 -43.76 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 11.7 t80 -52.16 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -17.0 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -80.3 -57.65 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.087 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.0 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.95 147.42 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.1 t -67.58 136.45 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.4 m -91.37 14.57 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -117.04 -56.64 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.24 -13.61 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 67.39 50.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.61 132.1 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.8 m -40.7 105.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 18' ' ' CYS . 83.1 t -75.4 126.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -84.56 160.37 56.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.42 2.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -107.27 -22.56 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.9 pt-20 -123.77 21.67 9.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' NH2' HD23 ' A' ' 32' ' ' LEU . 47.3 ttt-85 -83.49 106.33 15.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.9 tt -113.68 112.4 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -76.36 123.51 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -146.21 111.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 70.13 37.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.7 mt-30 61.64 38.25 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -149.77 150.8 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.625 HG12 HG21 ' A' ' 25' ' ' VAL . 39.4 t -77.57 122.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.1 m-85 -132.19 149.38 52.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.06 124.67 32.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.8 mp -38.95 -25.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -93.89 -54.71 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 86.9 m -49.55 -40.04 36.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.54 87.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' CYS . 62.8 mtt180 -151.91 156.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.73 139.18 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -81.47 17.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.636 ' HB3' ' CD2' ' A' ' 69' ' ' HIS . 2.5 t80 -124.57 -58.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.48 -17.92 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.24 42.99 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -99.36 147.94 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -65.3 129.16 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -123.36 178.24 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.3 p -131.84 -175.63 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.67 46.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.79 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -95.21 -12.37 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -74.05 165.76 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.0 112.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.9 p -101.75 148.07 25.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 41.2 tp -118.44 -68.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.418 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 24.2 m170 -117.38 -23.04 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.82 -30.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -92.25 147.24 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -88.63 155.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -150.33 151.36 32.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.2 p -85.11 138.83 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -30.54 -55.33 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -67.06 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.636 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 4.4 m-70 -58.93 -46.86 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.801 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 15.4 t80 -48.44 -64.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -24.4 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 34.1 tt0 -77.4 -66.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.48 -32.36 73.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.801 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.8 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.939 0.4 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 150.77 48.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -73.64 135.2 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -88.99 15.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.31 -55.36 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -102.66 -12.33 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 79.7 mm-40 66.68 52.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 4.3 mptp? -126.57 138.1 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -47.45 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 37' ' ' VAL . 87.6 t -75.31 127.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.83 162.39 52.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ptm -107.58 -25.17 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 7.3 pt-20 -121.66 27.37 8.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HA ' HG11 ' A' ' 25' ' ' VAL . 65.6 ttt-85 -90.18 96.28 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -101.82 114.68 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.14 125.32 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.85 110.25 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.438 ' CG ' ' HB3' ' A' ' 59' ' ' SER . 3.3 m120 62.01 49.19 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 54.34 38.83 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -149.68 148.38 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 25' ' ' VAL . 56.4 t -78.26 121.9 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -128.35 151.13 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.5 m170 -87.2 125.87 34.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 2.8 mp -40.95 -23.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 39' ' ' HIS . 74.0 m -95.93 -54.07 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.9 m -51.06 -37.73 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.0 t80 -45.66 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' CYS . 54.5 mtm180 -146.94 167.63 23.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.87 135.83 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.2 p -78.86 18.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -123.96 -52.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.23 -18.16 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.47 49.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -106.15 148.39 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 137.26 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -134.01 -174.75 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -157.3 -177.52 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.1 mt -77.48 42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 -30.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -125.14 31.43 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -111.99 164.15 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -167.24 121.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 34' ' ' ASN . 9.3 t -114.17 156.54 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 32.0 tp -123.91 -67.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.37 41.09 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.5 -31.03 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -84.41 129.62 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.59 158.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 59.7 m-85 -154.26 152.69 30.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.0 p -86.35 140.34 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.74 -53.67 0.61 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.3 Cg_exo -48.0 -66.01 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.668 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.2 m170 -60.11 -41.9 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.81 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 27.4 t80 -54.26 -69.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -50.3 -19.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 32.0 tt0 -82.77 -70.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.74 -33.91 73.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.81 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 152.2 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 44.9 t -77.51 135.1 38.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.612 HG11 ' OE1' ' A' ' 36' ' ' GLN . 34.8 m -90.56 18.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -121.11 -48.11 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.78 -13.02 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 68.72 51.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -127.61 134.74 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.768 HG21 HG12 ' A' ' 37' ' ' VAL . 93.0 t -71.04 127.38 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -81.86 161.19 61.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.667 0.746 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.57 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.55 -31.59 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.7 pt-20 -113.28 23.16 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HA ' HG11 ' A' ' 25' ' ' VAL . 36.6 ttt180 -83.98 100.58 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.5 tt -106.96 107.65 18.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -70.01 123.41 21.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.67 111.89 5.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 14.8 t-20 65.69 41.01 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.461 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.3 mt-30 59.42 36.34 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' HG11 ' A' ' 19' ' ' VAL . 7.6 mt-30 -147.13 147.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.768 HG12 HG21 ' A' ' 25' ' ' VAL . 44.8 t -75.43 119.76 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 19' ' ' VAL . 36.0 m-85 -128.52 149.13 50.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -86.13 126.44 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.0 mp -41.85 -23.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.3 t -95.8 -53.25 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -52.09 -39.25 59.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -45.81 90.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.4 mtm180 -147.07 176.85 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.83 137.78 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -79.82 15.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -122.75 -54.61 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -104.16 -20.66 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.28 48.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -104.39 140.82 37.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.2 mmtp -53.33 146.69 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 51' ' ' LYS . 20.8 mt -140.98 170.41 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -140.02 158.42 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.15 103.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.11 -36.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 70.7 p -98.63 -43.63 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -46.11 168.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -166.02 113.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 12.9 t -103.19 154.27 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 31.4 tp -123.75 -63.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -118.03 35.63 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.5 -30.05 10.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -87.4 139.9 30.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 8.2 mm -81.31 161.13 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 56.7 m-85 -157.49 140.96 15.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 31.8 p -74.09 144.67 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.641 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 18.0 mmtt -37.69 -51.36 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.5 Cg_exo -47.89 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 11.6 m170 -59.19 -44.37 92.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.811 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 34.0 t80 -52.2 -69.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.51 -16.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 12.4 tt0 -87.76 -69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.78 -39.57 92.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.811 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 5.4 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 37' ' ' VAL . 51.2 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.48 153.43 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 31.3 t -78.92 124.32 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG11 ' OE1' ' A' ' 36' ' ' GLN . 29.4 m -79.5 13.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -114.88 -58.48 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.83 -12.83 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 86.5 mm-40 67.82 50.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.15 133.06 51.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -45.02 104.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.759 HG21 HG12 ' A' ' 37' ' ' VAL . 89.1 t -72.96 129.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.05 162.25 49.99 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.695 0.76 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 53.8 Cg_endo -69.75 4.74 2.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.436 ' CE ' ' HG2' ' A' ' 27' ' ' PRO . 2.2 mpt? -107.3 -33.5 7.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.5 pt-20 -113.03 23.33 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.485 ' HA ' HG11 ' A' ' 25' ' ' VAL . 41.3 ttt180 -85.82 104.94 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.9 tt -112.87 108.42 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -68.14 126.84 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.652 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -147.05 114.52 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 62.45 41.15 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 32' ' ' LEU . 23.5 mt-30 61.21 38.2 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.718 ' OE1' HG11 ' A' ' 19' ' ' VAL . 13.4 mt-30 -150.16 151.19 32.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.759 HG12 HG21 ' A' ' 25' ' ' VAL . 58.3 t -78.72 120.32 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -127.53 151.47 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -88.33 123.37 32.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.488 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.3 mp -38.5 -25.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -50.69 -39.74 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 1.4 t80 -48.17 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' CYS . 88.5 mtt180 -147.86 161.48 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -66.19 139.13 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -83.95 27.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.1 t80 -131.82 -56.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 p -98.48 -26.36 14.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.9 t30 74.79 40.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -98.43 143.6 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.15 135.02 57.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -126.95 175.07 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -145.74 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -49.18 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.85 -34.32 2.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.3 p -96.92 -31.39 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 111.114 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 10.8 p90 -61.79 165.37 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.22 111.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 t -96.3 163.4 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 22.4 tp -127.98 -74.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -114.27 -40.18 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.33 30.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -152.4 132.18 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.55 151.05 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -147.92 151.27 35.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 24.3 p -86.36 147.08 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 30.4 mmtt -41.81 -48.51 10.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.1 Cg_exo -47.97 -61.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.737 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.4 m170 -68.25 -48.64 64.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.747 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 30.9 t80 -44.22 -59.05 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -51.84 -20.72 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -93.46 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.87 -30.06 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.747 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 66.2 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 146.86 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -70.1 128.37 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -83.27 14.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 42' ' ' CYS . 14.7 mt-10 -117.32 -63.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -94.66 -20.93 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm100 74.5 52.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -127.09 130.78 50.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.2 m -39.14 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 96.2 t -75.43 123.34 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.44 162.43 58.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.24 2.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -105.6 -27.54 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.498 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.7 pt-20 -118.46 23.43 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 28.5 ttt180 -85.63 103.54 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -110.73 114.28 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -74.05 129.29 37.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -151.27 115.54 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 59' ' ' SER . 7.4 m120 62.17 39.51 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 32' ' ' LEU . 24.5 mt-30 61.02 40.74 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -151.6 155.72 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 41.6 t -81.89 123.25 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.2 m-85 -131.95 150.81 52.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.7 m170 -87.31 124.09 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.6 mp -38.79 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 t -93.65 -53.93 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -51.81 -33.17 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.78 86.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 42' ' ' CYS . 69.6 mtt180 -139.45 168.35 20.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.9 139.41 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -81.02 23.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -131.4 -60.75 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -96.41 -25.17 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.53 54.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -115.56 124.99 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' CE ' ' HA ' ' A' ' 41' ' ' SER . 22.2 tttt -45.5 134.07 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.17 -177.15 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LEU . 16.8 m -153.15 140.07 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 32' ' ' LEU . 54.0 mt -37.51 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 138.54 -29.28 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -115.71 15.65 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -108.99 162.54 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.01 118.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 34' ' ' ASN . 22.7 t -108.12 162.21 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 47.7 tp -133.71 -75.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.19 55.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.72 29.34 67.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -142.37 127.13 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.51 142.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -142.16 146.16 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.406 ' HB2' ' HD2' ' A' ' 68' ' ' PRO . 31.3 p -79.15 147.58 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.8 mptp? -39.88 -52.23 5.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 65.5 Cg_exo -48.01 -66.28 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.779 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.4 m170 -59.71 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 24.9 t80 -49.6 -53.64 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.9 t30 -65.22 -2.99 3.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 10.7 tp60 -105.41 -57.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' OE2' ' CG2' ' A' ' 37' ' ' VAL . 27.2 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.14 149.2 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -74.62 128.45 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -83.03 16.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 5.5 mm-40 -118.76 -56.39 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.18 -13.7 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 40.8 mm-40 68.29 51.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 11.9 mptt -126.18 132.3 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -42.65 103.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG12 ' A' ' 37' ' ' VAL . 98.1 t -72.91 126.67 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.8 161.58 57.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.715 0.769 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.74 -27.69 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HA ' HD13 ' A' ' 40' ' ' ILE . 17.2 pt-20 -118.26 26.16 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.65 ' NH2' HD23 ' A' ' 32' ' ' LEU . 39.1 ttt-85 -87.48 104.44 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.8 tt -112.54 111.25 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.65 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -71.07 128.82 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.62 112.91 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 61.93 41.38 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.9 mt-30 61.09 42.02 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -153.42 148.28 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG12 HG21 ' A' ' 25' ' ' VAL . 58.6 t -78.33 117.72 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.4 m-85 -124.08 150.85 44.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.6 m170 -86.53 123.67 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.66 -24.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' HIS . 32.7 t -93.8 -53.86 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 91.8 m -50.82 -40.7 56.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 2.0 t80 -46.69 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -151.27 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.87 140.63 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.84 28.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.1 t80 -134.84 -51.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -110.03 -16.32 13.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.26 50.29 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 138.29 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -131.01 -177.02 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m -148.71 159.03 44.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.44 103.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.43 -39.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -96.52 -27.04 15.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 4.0 p90 -68.07 141.82 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -129.0 97.37 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.459 ' OG ' HD13 ' A' ' 64' ' ' ILE . 34.3 m -91.04 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.799 HD13 ' HE2' ' A' ' 74' ' ' PHE . 7.3 tp -113.41 122.89 48.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.9 m80 64.88 25.36 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.48 10.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -79.78 135.9 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 3.9 mm -84.12 157.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ILE . 64.6 m-85 -160.98 159.62 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.68 165.12 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.591 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 8.8 mmtt -55.37 -51.37 80.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.8 Cg_exo -47.92 -64.7 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 27.5 m170 -63.12 -48.72 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.775 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 72.8 t80 -50.57 -15.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -101.33 -21.3 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -89.63 -37.36 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.14 -37.3 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' A' ' 60' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -126.3 106.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -142.37 174.52 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.91 51.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -133.13 148.78 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -169.91 116.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.11 160.77 11.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -83.36 98.43 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -173.49 166.99 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' GLN . 24.4 t80 71.96 48.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' PHE . 43.7 mm-40 -34.71 116.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.8 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -35.22 -61.06 0.52 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.5 Cg_endo -69.73 -163.01 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 47.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.61 ' HG3' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -164.09 179.79 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.8 mm-40 -96.38 165.76 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 147.54 40.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.7 t -67.89 130.4 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' OE1' ' A' ' 36' ' ' GLN . 23.5 m -85.25 15.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -116.79 -57.66 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.1 p -100.25 -13.29 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 68.81 46.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.8 155.13 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.61 HG23 ' HG3' ' A' ' 15' ' ' ARG . 17.0 m -61.8 108.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 91.0 t -79.83 121.39 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -81.47 162.58 57.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptm -105.79 -27.66 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.3 pt-20 -117.39 19.9 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -82.13 105.97 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.1 tt -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -69.11 127.38 32.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.07 113.48 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t30 64.17 40.0 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.3 mt-30 62.53 33.4 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.7 mt-30 -146.16 145.55 30.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 91.8 t -75.47 121.74 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.0 m-85 -128.08 152.15 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.73 123.0 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.85 -25.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 28.0 t -93.4 -54.75 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -50.55 -39.67 49.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.07 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' CYS . 50.3 mtm180 -147.84 177.34 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.7 t -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 m -79.28 16.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -120.31 -52.58 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.47 -23.79 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.5 t30 69.73 53.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.13 154.36 25.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.84 132.24 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -130.46 173.62 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -129.71 -176.46 3.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 32' ' ' LEU . 36.4 mt -77.57 46.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.88 -32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -95.66 -15.96 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 111.156 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.28 176.41 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.02 107.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -101.48 145.49 28.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 46.8 tp -118.89 -73.53 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -109.66 34.78 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -30.06 9.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -85.25 142.9 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 9.1 mm -87.79 155.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 74.4 m-85 -156.96 148.66 22.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.9 p -83.96 138.9 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.8 mptp? -29.41 -55.08 0.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.5 Cg_exo -47.9 -66.18 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 17.8 m170 -62.24 -49.2 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.749 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 1.4 t80 -45.85 -50.97 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.33 -38.77 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 19.5 tt0 -58.65 -23.22 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.78 -49.87 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.749 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.8 m-30 -62.99 -76.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -39.96 152.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.7 p -174.74 -176.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 -175.81 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.53 114.99 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -175.0 111.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -154.42 157.78 39.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.25 171.75 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -94.46 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.3 -62.72 1.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -41.03 147.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.81 148.8 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.9 t -134.43 154.49 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.35 151.4 22.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.2 28.46 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -163.99 131.51 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.5 p -54.76 131.59 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.469 -179.991 . . . . . . . . 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 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -125.97 117.97 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 t -135.55 134.95 39.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.21 109.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -160.33 116.4 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 m -159.04 160.3 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.91 160.25 48.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.2 mtp -98.2 85.9 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -125.32 101.17 6.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -159.12 164.7 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -47.63 132.73 13.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.732 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -64.09 -58.66 13.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.83 174.49 9.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.75 101.66 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.781 ' HD2' HG23 ' A' ' 24' ' ' THR . 9.3 ptt-85 -76.26 173.95 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' HG21 ' A' ' 37' ' ' VAL . 12.1 mp0 -99.97 147.44 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.76 150.17 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 25' ' ' VAL . 51.6 t -79.59 132.23 36.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.2 m -87.55 19.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.06 -48.74 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.49 -13.98 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 10.5 mm100 68.89 50.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 13.7 mptt -125.94 132.79 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.781 HG23 ' HD2' ' A' ' 15' ' ' ARG . 22.7 m -41.19 107.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG21 HG12 ' A' ' 37' ' ' VAL . 74.5 t -78.22 123.06 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.57 161.9 67.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.733 0.778 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 3.39 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mtt -107.04 -27.73 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.3 pt-20 -117.35 21.58 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HA ' HG11 ' A' ' 25' ' ' VAL . 58.8 ttt180 -85.53 90.47 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -96.32 111.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.91 129.49 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -152.31 115.79 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 78.6 m-20 62.47 39.2 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.3 38.92 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -149.82 149.8 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.684 HG12 HG21 ' A' ' 25' ' ' VAL . 45.2 t -76.32 119.65 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.7 m-85 -128.06 150.0 50.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.94 127.02 35.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -42.15 -23.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 71.7 m -95.2 -55.23 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -49.8 -37.39 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.6 93.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 41' ' ' SER . 54.8 mtm-85 -153.97 167.36 30.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.88 142.51 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 2.5 t -82.93 22.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.607 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.13 -56.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -98.49 -26.22 14.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t30 69.97 41.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -102.19 122.13 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -41.14 131.03 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -114.95 -178.36 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -141.47 146.38 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.3 mt -45.45 109.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.43 -43.98 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.4 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . 62.8 p -82.99 -41.22 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 64' ' ' ILE . 24.8 p90 -48.06 176.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -169.91 106.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.46 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 24.7 p -93.28 168.9 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 tp -128.66 -68.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -117.11 -28.67 6.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.05 -32.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.02 160.45 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 11.8 mm -98.89 150.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.6 m-85 -144.43 145.78 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.504 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 29.0 p -78.17 134.41 37.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 12.9 mttt -31.53 -53.07 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.5 Cg_exo -47.95 -62.91 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.308 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.3 m170 -62.47 -44.06 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.741 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.9 t80 -50.13 -56.26 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.6 t30 -70.11 2.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -106.79 -34.16 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.93 -26.82 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.741 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 -81.95 -56.46 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -58.1 -45.53 87.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 15.5 t -47.32 99.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.4 mppt? -35.8 118.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.41 56.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -111.96 129.41 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -137.26 177.37 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -40.98 129.71 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 84' ' ' PHE . 10.9 pt-20 -119.46 42.77 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.2 53.19 1.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 82' ' ' GLU . 9.8 m-85 -73.84 -44.14 56.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.01 -94.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m 45.77 44.14 10.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.69 145.9 47.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.9 Cg_endo -69.77 2.48 3.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' PRO . 32.4 t -34.58 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -141.92 175.87 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.502 -179.999 . . . . . . . . 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 -0.304 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -143.17 170.66 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -93.41 151.75 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.28 136.62 11.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -113.3 40.69 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -151.64 129.78 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.87 126.28 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 mmt -54.6 112.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -80.14 122.36 26.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -131.84 -58.87 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -89.04 134.05 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.861 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -76.22 -64.0 0.55 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.17 171.11 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -136.86 171.71 14.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.717 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.7 mm-40 -92.46 171.67 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.77 145.06 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -65.0 133.02 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.621 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.1 m -87.49 15.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -119.05 -62.51 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -94.78 -8.74 36.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 61.96 54.85 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -126.67 152.83 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 m -59.96 102.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -74.55 123.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.66 162.43 55.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.681 0.753 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.311 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.1 ptm -105.87 -26.5 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -120.67 25.33 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 32' ' ' LEU . 51.0 ttt-85 -88.37 101.33 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -106.87 111.88 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.78 128.69 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.34 112.72 4.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.052 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 61.08 44.57 10.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 57.92 38.29 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -147.93 151.15 35.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 16' ' ' GLU . 70.0 t -80.02 119.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.684 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.8 m-85 -127.9 151.08 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.1 m170 -87.6 128.91 35.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.3 mp -45.3 -20.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' HIS . 73.4 m -97.81 -52.09 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.2 m -52.81 -39.16 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.31 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.0 mtt180 -145.8 166.58 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.73 142.85 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t -83.18 27.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.92 -59.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.47 -25.69 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 72.26 53.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -114.81 126.77 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -45.8 135.94 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.54 -174.5 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 m -150.44 151.99 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.3 mt -48.84 101.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.11 -41.94 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 10.0 t -95.81 -35.61 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -53.97 157.91 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -153.59 113.72 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -104.68 140.21 38.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.8 tp -115.59 -71.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -107.43 39.25 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.48 -25.89 26.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 12.9 mtm105 -88.8 147.29 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mm -89.73 156.07 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.3 m-85 -154.61 145.5 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.482 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . 25.0 p -77.9 150.63 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.595 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 37.1 mmtt -44.76 -47.82 28.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.3 Cg_exo -48.04 -67.15 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.652 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 19.0 m170 -62.63 -47.42 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.781 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 16.2 t80 -48.05 -55.59 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -71.86 2.18 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -106.49 -30.99 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.03 -30.01 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 -80.21 -54.14 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -39.09 84.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -76.64 104.32 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 173.38 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.9 -73.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -78.61 153.94 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -123.98 152.22 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -141.8 162.1 36.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -103.36 33.19 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.32 -77.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' GLY . 29.7 m-85 -53.82 -50.13 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' PHE . . . -36.14 135.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.73 166.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -85.99 106.18 16.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 165.04 14.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.528 -179.975 . . . . . . . . 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 -0.33 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -164.97 132.88 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -107.27 82.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.09 56.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -114.39 90.84 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -159.94 167.82 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.25 41.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 18.7 ptt? -108.58 -42.6 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 8' ' ' MET . 17.8 mmmt -103.95 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.74 -46.34 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 HE22 ' CZ ' ' A' ' 15' ' ' ARG . 37.5 mt-30 -56.61 116.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -58.38 -59.97 11.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.76 117.91 5.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -35.18 129.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.584 ' CZ ' HG21 ' A' ' 24' ' ' THR . 15.4 ttm180 -95.27 132.85 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -87.99 153.43 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -143.85 155.96 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 25' ' ' VAL . 32.4 t -80.62 125.45 30.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 36' ' ' GLN . 27.6 m -79.39 13.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG3' ' CD1' ' A' ' 38' ' ' PHE . 10.4 mt-10 -115.76 -54.1 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.49 -7.25 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.7 mp0 62.85 48.19 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -123.11 131.42 53.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 ' CZ ' ' A' ' 15' ' ' ARG . 8.8 m -42.74 105.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.779 HG21 HG12 ' A' ' 37' ' ' VAL . 93.7 t -74.12 125.14 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.99 163.33 53.77 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.683 0.754 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mmt -99.94 -31.19 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 14.6 pt-20 -115.85 30.19 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.682 ' NH2' HD23 ' A' ' 32' ' ' LEU . 49.1 ttt-85 -91.34 105.4 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -111.85 111.58 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.682 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -72.94 124.34 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.91 110.15 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.5 m-20 62.83 40.78 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.527 ' HA ' HD11 ' A' ' 32' ' ' LEU . 20.4 mt-30 62.25 42.01 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' OE1' HG11 ' A' ' 19' ' ' VAL . 6.3 mt-30 -151.53 145.19 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.779 HG12 HG21 ' A' ' 25' ' ' VAL . 49.0 t -76.89 117.81 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.3 m-85 -125.84 151.42 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -86.92 122.95 31.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.76 -25.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' HIS . 33.8 t -93.24 -54.24 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.4 m -50.88 -40.09 55.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -43.86 90.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.7 mtt-85 -141.6 173.51 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.6 t -84.09 138.37 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 p -81.16 27.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.796 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.76 -53.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 p -103.45 -29.81 10.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 74.99 54.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.6 m-20 -115.32 118.42 33.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -36.92 126.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 19.0 mt -114.26 -174.7 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -143.11 174.49 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' O ' ' A' ' 32' ' ' LEU . 93.5 mt -75.53 48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.86 -30.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.2 p -108.05 11.74 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -96.34 172.24 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.52 109.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.47 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -105.61 149.68 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 34.8 tp -115.08 -69.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -115.18 47.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.57 6.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -82.31 135.04 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 59' ' ' SER . 9.8 mm -81.84 150.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.2 m-85 -148.33 150.33 33.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 p -80.64 168.15 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 1.7 mptp? -58.05 -54.96 50.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -59.42 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.796 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.0 m170 -64.39 -49.9 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.782 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 19.6 t80 -49.82 -50.78 43.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.12 -4.06 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 2.6 tp60 -106.43 -55.82 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.49 -26.56 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 -91.36 -62.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 76' ' ' SER . 11.5 tttp -48.3 -30.41 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 75' ' ' LYS . 8.4 t -33.77 107.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.1 mmmm -34.77 136.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.43 -75.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.534 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 28.6 t-20 -174.74 111.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 44.8 m-85 -167.16 167.22 14.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.19 131.86 55.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -130.36 38.74 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.73 -64.72 1.84 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.66 176.89 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.22 -63.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.0 t -120.2 155.5 33.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.67 120.28 1.07 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -176.21 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -161.37 154.9 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -165.83 128.74 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.473 -179.972 . . . . . . . . 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 -0.336 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -155.15 135.89 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -159.08 148.5 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.66 58.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -97.77 96.01 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 p -151.83 142.48 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.48 163.17 32.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 ttt -141.22 157.07 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.96 -58.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' GLN . 91.0 m-85 -56.86 161.43 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' PHE . 9.1 mm100 -34.4 113.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -35.38 -61.21 0.53 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.3 Cg_endo -69.74 147.41 62.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.45 140.51 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -89.72 169.6 11.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' OE1' HG11 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -90.41 173.61 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.76 143.11 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' HG23 ' A' ' 25' ' ' VAL . 30.6 t -69.64 127.26 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.575 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 29.6 m -83.49 15.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -117.11 -55.42 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -104.16 -13.37 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.443 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 19.9 mm-40 66.78 50.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -126.05 131.95 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -39.71 107.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.758 HG21 HG12 ' A' ' 37' ' ' VAL . 75.0 t -78.09 120.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -76.29 159.37 80.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.686 0.755 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 ttt -109.41 -20.41 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.8 pt-20 -123.53 26.36 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.616 ' NH2' HD23 ' A' ' 32' ' ' LEU . 40.3 ttt-85 -89.91 108.96 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.8 tt -116.03 108.83 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -65.75 123.21 19.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -144.19 110.21 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.3 t30 64.84 39.98 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.9 mt-30 63.07 35.87 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.7 mt-30 -147.97 151.9 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.758 HG12 HG21 ' A' ' 25' ' ' VAL . 87.8 t -79.56 119.46 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.725 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 29.0 m-85 -125.86 149.88 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -84.94 123.32 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.9 mp -40.0 -24.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.8 t -93.53 -53.42 4.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.5 m -51.34 -42.03 61.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -43.19 90.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 52.4 mtm180 -140.6 172.1 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -81.79 142.4 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -82.17 26.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -134.99 -54.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.2 -26.11 13.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 74.73 40.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -101.15 126.23 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -47.7 132.78 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -123.45 -174.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.45 164.4 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 mt -47.7 111.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.67 -36.13 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD ' ' A' ' 67' ' ' LYS . 50.1 p -92.18 -27.59 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -75.5 174.78 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -171.8 109.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.4 t -99.43 156.42 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 45.5 tp -129.05 -67.72 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -112.59 32.86 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.25 -26.69 16.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -89.55 146.03 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -89.17 155.07 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -154.24 150.41 28.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.0 p -83.45 136.29 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.4 mptp? -29.24 -55.34 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.536 0.684 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.7 Cg_exo -48.01 -66.43 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.635 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.3 m170 -59.03 -41.71 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.771 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 17.8 t80 -52.03 -66.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -53.3 -26.62 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 35.7 tt0 -72.9 -68.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.38 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.771 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 -83.7 -63.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' GLN . 33.3 tttt -84.23 175.06 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 36.5 p -159.54 148.15 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -36.22 144.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.34 84.8 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.03 122.57 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -113.63 133.36 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -46.18 99.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.78 41.67 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.06 -40.65 2.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -95.94 95.59 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.392 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -38.76 108.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.1 p -145.93 116.16 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.81 143.51 3.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.5 t -117.37 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' SER . 28.2 m -36.03 119.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.478 179.998 . . . . . . . . 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 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -143.38 129.97 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -142.73 154.7 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.21 -169.84 39.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -131.79 114.85 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -138.08 169.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.01 114.13 3.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtt -133.22 145.5 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -81.39 122.58 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -108.93 135.86 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -57.93 160.5 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -67.42 -59.76 6.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.74 174.59 9.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 87.35 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -87.97 146.72 25.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 37' ' ' VAL . 1.3 mm-40 -92.96 178.95 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 149.09 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.606 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.9 t -66.54 130.05 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.1 m -85.06 16.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.43 -60.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -99.79 -0.48 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 55.3 49.05 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -123.02 136.12 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -47.62 105.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 37' ' ' VAL . 82.4 t -73.21 128.4 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.11 159.46 59.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.661 0.743 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 4.62 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -107.64 -23.39 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -123.0 23.9 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -84.34 100.38 11.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -106.14 109.16 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.21 123.87 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.47 112.33 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 15.0 t-20 67.09 39.83 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.7 mt-30 60.56 34.57 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' OE1' HG11 ' A' ' 19' ' ' VAL . 8.0 mt-30 -145.68 149.91 35.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 25' ' ' VAL . 98.7 t -78.18 119.51 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.1 m-85 -127.49 157.16 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -91.71 127.43 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.422 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 2.4 mp -43.6 -21.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.7 m -97.03 -54.14 3.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -51.42 -39.26 56.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.9 t80 -47.77 95.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 45.5 mtm180 -151.74 168.8 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.2 t -74.02 141.59 45.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -82.07 23.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.68 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.23 -58.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -95.65 -29.37 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.3 t30 74.98 50.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -109.08 140.2 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 1.8 mtpm? -55.74 131.03 45.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.8 179.29 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 71.6 m -147.5 159.51 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.84 83.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 156.92 -31.8 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -114.5 15.93 17.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -110.25 139.12 45.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.26 103.57 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.58 ' OG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -86.32 149.67 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.883 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 44.9 tp -134.75 89.35 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 75.01 25.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.67 -26.91 11.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -84.63 123.93 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.58 HD13 ' OG ' ' A' ' 59' ' ' SER . 7.9 mm -81.77 140.29 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -143.68 147.67 34.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.5 p -82.08 137.11 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -30.5 -54.46 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.0 Cg_exo -47.99 -66.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.2 m170 -59.86 -42.44 93.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 27.2 t80 -55.3 -68.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -52.06 -17.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 13.8 tt0 -84.57 -70.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.09 -28.93 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.883 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -82.98 -64.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -90.42 138.95 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.3 t -173.85 164.92 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -109.91 50.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.28 174.57 19.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -104.9 145.43 30.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -139.26 156.3 47.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -141.66 148.04 38.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.57 40.14 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.58 -49.05 6.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -46.5 119.67 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.68 144.28 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.3 t -95.8 -41.66 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.75 75.85 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.77 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 t -57.62 105.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 m -135.17 172.24 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.534 179.966 . . . . . . . . 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 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 m -49.69 -60.74 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -58.32 113.86 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.1 125.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -133.75 145.6 49.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 p -125.35 129.82 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.17 -152.84 10.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.41 89.27 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -89.18 -56.84 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' GLN . 15.2 m-85 -54.32 174.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.7 tp-100 -35.51 117.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.885 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -43.51 -66.14 0.49 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.705 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.885 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.3 Cg_endo -69.77 160.85 48.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.97 142.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -125.41 177.62 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 37' ' ' VAL . 4.7 mm-40 -103.12 161.7 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.85 145.98 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.6 t -62.52 138.61 58.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 38' ' ' PHE . 29.1 m -94.2 17.06 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -120.51 -52.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.21 -14.66 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 67.92 52.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -126.88 132.81 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.7 m -41.29 104.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -76.42 123.56 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -80.52 161.59 63.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.5 mtt -106.09 -23.55 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.8 pt-20 -122.12 26.46 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -88.7 98.96 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.5 tt -106.13 109.57 21.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.98 126.52 29.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.4 113.18 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 67.4 39.57 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.5 mt-30 61.98 36.17 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.5 mt-30 -148.88 155.69 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG12 HG21 ' A' ' 25' ' ' VAL . 89.0 t -81.96 120.05 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 35.5 m-85 -126.89 150.43 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.4 m170 -85.62 127.31 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -43.53 -21.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.1 m -96.53 -53.59 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' ARG . 94.5 m -50.9 -39.99 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.99 93.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.1 mtt180 -155.73 146.45 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.0 t -50.83 137.01 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.496 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 5.5 p -81.75 21.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.7 t80 -125.15 -55.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.11 -20.21 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 67.39 48.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -56.61 134.98 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.92 174.1 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.3 p -126.81 -178.78 4.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 32' ' ' LEU . 82.4 mt -79.9 42.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.65 -33.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 t -98.57 -17.27 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -67.95 150.27 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -148.68 110.76 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.9 p -99.22 149.49 23.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 39.5 tp -128.12 -73.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.03 39.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.28 -27.16 21.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -88.18 152.47 21.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 4.3 mm -94.44 156.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 66.3 m-85 -155.26 145.37 21.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 27.7 p -78.36 148.42 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 26.4 mmtt -41.54 -49.14 9.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.95 -66.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.3 m170 -62.6 -45.62 92.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 32.8 t80 -47.87 -61.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 89.9 m-20 -54.93 -15.46 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 38.7 tt0 -92.12 -67.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.22 -29.03 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 -88.18 -69.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -71.83 168.21 18.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -162.43 170.3 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -54.23 -44.82 72.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.29 84.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -155.98 115.87 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.73 139.78 37.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' GLU . 7.2 m-20 -118.42 172.38 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASP . 16.1 mt-10 33.95 42.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.94 55.89 3.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 84' ' ' PHE . 51.7 t80 -127.62 83.31 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.94 158.68 53.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 t -154.28 157.74 39.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.69 155.06 52.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.24 31.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -125.5 150.89 46.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 t -165.27 176.97 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.524 -179.981 . . . . . . . . 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 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -121.47 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -151.09 155.88 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.77 132.84 11.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -124.29 137.36 54.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -158.06 153.28 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.4 59.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -174.94 116.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -55.15 138.24 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -53.84 101.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -81.88 -58.28 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -175.06 163.09 2.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.657 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 54.0 Cg_endo -69.75 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.55 104.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.857 ' HD2' HG23 ' A' ' 24' ' ' THR . 9.3 ptt180 -46.31 171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -108.33 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 150.66 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.3 t -68.75 135.13 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.62 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.7 m -88.16 17.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -120.63 -48.55 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 14.7 p -111.12 -14.44 13.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 55.5 mm-40 69.43 37.87 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HE3' ' C ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -110.77 136.28 50.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.857 HG23 ' HD2' ' A' ' 15' ' ' ARG . 8.1 m -44.94 103.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG12 ' A' ' 37' ' ' VAL . 77.4 t -74.17 126.64 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -82.83 160.7 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.722 0.772 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mtt -107.02 -24.34 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HA ' HD13 ' A' ' 40' ' ' ILE . 11.6 pt-20 -122.25 27.83 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -90.07 94.47 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.4 tt -99.22 111.28 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.41 126.74 30.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.17 110.45 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.96 49.7 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 53.94 41.07 32.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -151.3 148.43 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 HG21 ' A' ' 25' ' ' VAL . 96.0 t -80.1 121.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.8 m-85 -129.14 150.24 50.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m170 -85.61 128.8 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.5 mp -45.1 -20.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' HIS . 71.7 m -98.68 -51.71 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 95.6 m -52.52 -38.06 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.6 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' CYS . 79.8 mtt180 -146.9 170.86 16.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.1 t -79.65 136.65 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t -75.65 11.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -118.61 -65.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.9 p -88.25 -21.33 24.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.71 47.32 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -105.58 150.9 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 130.44 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -126.66 -178.95 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' GLY . 57.8 m -162.89 158.04 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 32' ' ' LEU . 38.5 mt -48.79 90.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 150.15 -31.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 t -119.58 17.9 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -112.38 172.26 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -170.47 118.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 157.82 17.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 55.2 tp -128.48 -65.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -113.78 38.45 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.66 -30.3 10.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -83.06 158.35 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.24 150.44 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -151.0 141.35 22.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.4 p -73.12 140.48 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -32.87 -54.1 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.516 0.674 . . . . 0.0 110.912 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.99 -67.23 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.9 m170 -58.66 -46.0 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 4.6 t80 -50.38 -57.5 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 74.3 m-80 -73.09 -28.18 62.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 25.2 tt0 -71.57 -29.51 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.67 -56.64 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.0 m-30 -55.58 -59.98 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 22.9 tptt -53.6 -35.55 61.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' LYS . 6.5 t -34.48 120.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -40.47 144.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.18 59.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -134.86 6.14 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.952 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -49.12 142.36 7.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -162.66 167.7 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 1.4 tp10 -96.9 -7.58 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.99 44.72 32.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -78.59 117.73 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.66 116.77 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 t -91.56 151.51 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.66 147.33 17.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.09 49.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -124.72 149.37 47.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -73.45 170.83 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.488 -179.972 . . . . . . . . 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 1.452 -0.277 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m -162.82 158.55 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -151.54 144.79 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.35 163.08 22.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -156.64 148.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -124.86 158.54 33.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.14 51.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 mtm -76.9 130.57 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -132.78 136.82 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.08 163.95 32.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -51.14 131.24 27.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -41.28 -64.61 0.59 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.71 177.89 5.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.397 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.34 112.67 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' CZ ' HG21 ' A' ' 24' ' ' THR . 15.7 ttm180 -108.9 139.48 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' CD ' HG21 ' A' ' 37' ' ' VAL . 24.2 mt-10 -99.68 158.02 16.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.92 148.58 40.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.2 t -73.95 134.94 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 38' ' ' PHE . 30.1 m -89.64 17.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' HB3' ' A' ' 42' ' ' CYS . 13.0 mt-10 -119.54 -51.06 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.74 -13.03 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 54.0 mm-40 68.75 50.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.7 mptm? -125.86 133.56 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 15' ' ' ARG . 21.5 m -43.26 106.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.812 HG21 HG12 ' A' ' 37' ' ' VAL . 79.0 t -74.03 124.22 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -81.96 161.46 60.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.8 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mtt -104.61 -26.0 12.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.2 pt-20 -120.13 23.37 11.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 36.7 ttt180 -85.01 108.16 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.0 tt -116.06 107.95 15.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.2 126.08 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.36 114.77 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.3 m120 64.53 37.08 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.0 mt-30 62.88 35.99 13.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' OE1' HG11 ' A' ' 19' ' ' VAL . 6.6 mt-30 -147.72 150.46 34.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.812 HG12 HG21 ' A' ' 25' ' ' VAL . 52.4 t -77.52 121.61 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.9 m-85 -129.39 149.46 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.79 122.58 30.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.0 -25.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' HIS . 23.3 t -92.79 -55.02 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HB3' ' CD ' ' A' ' 20' ' ' GLU . 92.9 m -49.63 -41.6 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.34 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -154.87 156.65 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' ASN . 46.9 t -56.68 134.27 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.8 p -72.26 4.23 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -113.24 -66.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ASN . 7.3 p -89.07 -27.56 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 60.2 t30 69.48 48.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -104.18 123.34 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -38.44 130.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 mt -118.57 -177.51 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -148.28 142.07 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.2 mt -42.7 110.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.7 -31.99 5.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.4 p -103.77 -4.44 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 111.138 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.9 p90 -95.52 139.48 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -118.5 99.05 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 2.1 t -83.96 143.3 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.606 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.0 tp -105.92 65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 34.5 p80 48.64 51.38 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.42 -34.3 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 59' ' ' SER . 33.3 mmt180 -104.18 170.12 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 mm -123.69 144.15 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -153.58 151.74 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.516 ' O ' ' C ' ' A' ' 67' ' ' LYS . 31.8 p -89.78 139.17 30.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -27.67 -56.37 0.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.01 -66.17 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.783 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 5.4 m170 -60.66 -43.83 97.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.796 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 55.1 t80 -50.0 -52.81 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' ASN . 1.7 t30 -72.68 1.78 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -114.67 -23.48 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' HIS . 13.4 mt -108.67 -26.37 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.796 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -91.44 -51.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' SER . 11.8 tppt? -49.99 -42.51 49.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.6 t -37.96 116.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.1 mtmm -33.92 127.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.63 150.18 11.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.79 81.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.72 11.37 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' GLU . 1.9 t70 -62.4 165.42 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASP . 2.3 mm-40 33.66 42.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.33 48.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.76 173.18 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.17 140.69 26.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -122.9 156.08 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.29 160.79 16.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 161.61 45.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.9 p -123.33 141.35 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 t -65.58 99.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.49 -179.983 . . . . . . . . 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 1.45 -0.376 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -166.44 143.44 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -147.82 162.15 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.37 109.99 0.68 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -110.06 140.38 44.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 m -158.3 174.04 15.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.63 94.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.0 mtt -127.27 154.98 44.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -51.54 153.75 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -169.7 150.34 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 23.4 mp0 -79.55 115.78 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -36.11 -59.46 0.8 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.1 Cg_endo -69.76 113.2 3.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.06 108.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.715 ' H ' ' NE ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.17 179.08 7.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.1 mp0 -96.33 145.99 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 146.78 51.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.594 ' N ' HG23 ' A' ' 25' ' ' VAL . 45.7 t -73.84 128.42 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.688 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -84.39 15.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -114.34 -53.02 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.92 -16.0 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 71.24 47.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -121.92 135.18 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.668 HG23 ' HG3' ' A' ' 15' ' ' ARG . 19.7 m -42.53 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 30' ' ' ARG . 75.1 t -69.0 132.13 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.97 162.81 53.68 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.669 0.747 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 5.2 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 44.0 mmm -116.38 -30.08 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.752 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.6 mm-40 -96.58 -14.1 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.645 ' HA ' HG11 ' A' ' 25' ' ' VAL . 59.4 ttt-85 -57.48 110.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -118.12 112.96 20.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD23 HH22 ' A' ' 30' ' ' ARG . 0.2 OUTLIER -69.83 117.11 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -141.24 108.66 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.8 41.02 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.6 mt-30 61.39 36.01 17.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.534 ' OE1' HG11 ' A' ' 19' ' ' VAL . 7.5 mt-30 -149.58 149.84 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 16' ' ' GLU . 94.6 t -75.57 135.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 45.1 m-85 -144.51 152.97 41.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.4 m170 -88.96 125.52 35.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 29' ' ' GLU . 3.1 mp -41.89 -22.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.3 m -96.15 -50.82 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.6 m -55.13 -36.99 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 1.3 t80 -53.32 86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' CYS . 41.7 mtt180 -145.95 149.23 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -56.47 137.3 53.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.513 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.5 p -81.04 25.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.762 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.35 -59.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 p -93.92 -26.73 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 74.67 51.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -121.48 126.92 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -48.12 145.67 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.06 172.61 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -114.41 -179.95 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.59 46.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.66 -30.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.4 p -95.66 -10.89 28.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.28 153.47 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.76 116.65 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -107.81 146.99 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 42.7 tp -122.36 -67.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -111.7 35.79 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.26 -24.16 31.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -91.05 145.01 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -90.35 149.95 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.4 m-85 -148.54 152.77 37.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.538 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.9 p -86.89 136.68 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -26.72 -56.75 0.2 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.8 Cg_exo -48.03 -67.16 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.292 . . . . 0.0 112.305 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.762 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.4 m170 -59.46 -42.14 91.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 16.5 t80 -53.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 91.1 m-20 -53.74 -31.05 46.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 75' ' ' LYS . 14.4 tt0 -67.85 -69.22 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 -76.74 -60.31 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -78.43 148.75 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.449 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 52.6 p -158.31 176.67 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -92.28 100.54 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.73 -158.83 26.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -117.81 134.85 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -150.43 174.98 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.5 151.79 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -122.59 41.25 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -40.05 -85.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -53.92 130.69 38.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.99 84.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -99.97 157.72 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.34 140.31 8.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.75 65.75 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -152.22 156.17 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.4 p -153.96 158.31 40.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.502 -179.945 . . . . . . . . 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 -0.346 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -103.07 90.35 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -162.71 175.18 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.72 116.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 p -152.77 174.96 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -155.17 128.27 8.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.99 85.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mtt -140.84 135.2 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -59.44 115.72 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.3 158.61 43.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.8 149.07 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -60.74 -61.16 8.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.2 Cg_endo -69.83 2.28 3.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 51.32 53.02 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.86 171.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -87.16 157.94 19.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.74 149.2 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.481 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.3 t -79.98 138.06 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 33.6 m -88.68 13.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.39 -56.45 2.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -99.37 -15.45 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 56.47 47.1 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' THR . 14.7 ttmt -107.23 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.9 m -177.26 121.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.843 HG21 HG12 ' A' ' 37' ' ' VAL . 59.7 t -101.73 118.49 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -83.8 161.84 54.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.672 0.748 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 5.78 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -111.18 -19.17 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 pt-20 -126.91 20.26 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 61.1 ttt-85 -80.16 93.33 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.2 tt -95.07 109.38 21.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.47 126.1 28.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -149.17 118.58 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 73.5 m-20 62.23 38.36 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.4 mt-30 59.87 41.61 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -153.73 155.96 36.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.843 HG12 HG21 ' A' ' 25' ' ' VAL . 57.9 t -78.15 125.36 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.6 m-85 -136.21 146.87 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 3.2 m170 -81.43 135.39 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' GLU . 1.9 mp -52.03 -14.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -104.91 -47.56 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 44' ' ' ARG . 91.9 m -54.97 -36.11 65.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.74 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' CYS . 67.8 mtt180 -141.84 170.6 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -79.26 143.82 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -83.1 23.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.0 t80 -133.98 -58.68 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 p -97.17 -20.16 18.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.61 49.18 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -107.25 125.3 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -44.77 127.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.77 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 8.3 m -150.89 138.21 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -38.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 144.81 -20.05 1.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.551 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -125.82 18.28 7.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -107.45 171.91 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.42 125.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.474 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 52.9 p -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.6 tp -128.94 -68.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -117.64 33.13 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.82 -26.58 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -89.56 136.06 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mm -82.86 152.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -149.16 151.28 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -84.63 139.76 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' CYS . 2.7 mptm? -31.04 -54.94 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 64.4 Cg_exo -47.92 -65.79 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.704 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 6.0 m170 -59.53 -41.1 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 22.5 t80 -55.68 -66.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -15.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 33.6 tt0 -90.08 -68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.02 -35.52 77.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.823 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 3.9 m-85 -77.13 -71.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -79.26 137.64 37.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -172.14 -175.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.92 81.33 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.59 118.31 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.18 107.58 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -141.45 177.47 8.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.72 155.76 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -120.91 42.28 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.18 45.9 1.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -70.9 160.82 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.46 151.47 34.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -149.09 114.05 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.76 137.52 19.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -175.14 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.1 t -101.97 116.8 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -150.31 151.19 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.459 179.992 . . . . . . . . 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 1.452 -0.294 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -75.12 159.78 31.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -54.97 145.37 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 117.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -138.05 172.01 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -120.44 133.37 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 108.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 139.08 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -82.59 88.81 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -150.25 163.38 38.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -44.43 170.51 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.685 ' HB1' HH21 ' A' ' 15' ' ' ARG . . . -175.93 105.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.685 HH21 ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -41.55 155.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 51.0 mt-10 -83.0 140.48 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.29 149.32 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 41.9 t -75.71 136.21 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.9 m -91.13 18.79 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -121.77 -45.78 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -115.29 -14.41 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 81.7 mm-40 68.78 50.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.9 mptm? -125.44 131.45 52.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -40.1 104.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG21 HG12 ' A' ' 37' ' ' VAL . 81.6 t -74.38 120.29 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -77.27 160.49 75.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 3.54 2.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.344 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtp -107.01 -24.32 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -119.75 20.43 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 22.0 ttt180 -82.01 106.19 13.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.3 tt -112.28 110.64 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.34 125.26 27.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -148.65 113.48 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 64.97 38.08 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HA ' HD11 ' A' ' 32' ' ' LEU . 35.1 mt-30 62.01 37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -148.49 145.64 28.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 25' ' ' VAL . 61.2 t -74.53 121.35 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.5 m-85 -128.95 152.74 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.9 m170 -88.87 123.96 33.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -39.17 -24.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 31.2 t -94.25 -54.98 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 90.1 m -50.14 -37.98 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -46.41 89.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' CYS . 61.8 mtm180 -145.2 172.57 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.56 136.38 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -81.38 21.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -125.76 -46.31 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.95 -16.5 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m120 64.26 54.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.31 146.33 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 133.54 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -129.39 -174.23 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.93 175.2 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.83 83.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.0 -26.35 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.4 t -130.67 25.68 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 111.108 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -110.67 158.66 18.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.48 120.24 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 64' ' ' ILE . 10.2 t -113.05 158.4 20.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 28.7 tp -124.25 -68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -114.35 39.67 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.43 -30.44 10.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -85.45 128.97 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 59' ' ' SER . 12.8 mm -75.8 152.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -146.54 149.11 32.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.4 p -82.39 139.66 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.14 -53.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 66.7 Cg_exo -48.02 -65.23 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.793 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 8.4 m170 -60.68 -41.87 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 28.6 t80 -53.94 -69.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -48.1 -19.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 19.2 tt0 -86.07 -72.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.41 -38.64 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.8 m-85 -72.94 -62.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -172.31 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m 74.23 43.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' GLY . 2.3 tppp? -125.59 154.58 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -37.66 154.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -41.48 106.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -146.36 161.92 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.58 24.08 13.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -125.24 42.72 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.53 73.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -87.35 141.64 28.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.09 124.82 7.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.9 m -159.16 113.92 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -174.62 137.99 4.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.17 41.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -46.17 125.18 6.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -114.06 128.06 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.473 179.964 . . . . . . . . 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 -0.354 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -51.86 117.85 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -164.2 146.41 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.59 165.42 13.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 m -136.78 133.1 35.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.9 p -70.71 134.76 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.12 -167.84 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.31 85.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -105.99 -53.12 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -82.02 177.86 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -52.04 117.51 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -67.16 -56.29 13.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.79 163.97 36.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 132.54 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HG3' HG23 ' A' ' 24' ' ' THR . 16.3 ttp180 -85.51 140.36 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -91.66 173.53 7.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.99 151.48 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 42.6 t -80.75 127.58 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.8 m -80.9 15.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.68 -55.77 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.82 -10.66 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.1 mm-40 66.93 47.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -120.77 150.18 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.435 HG23 ' HG3' ' A' ' 15' ' ' ARG . 25.8 m -59.1 101.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG21 HG12 ' A' ' 37' ' ' VAL . 93.6 t -72.32 126.45 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.91 162.42 52.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.3 3.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.45 -28.68 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.9 pt-20 -117.84 22.95 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -84.53 94.21 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -99.98 114.59 27.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -75.43 121.13 21.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.541 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.92 111.3 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 68.59 39.45 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.501 ' HA ' HD11 ' A' ' 32' ' ' LEU . 18.7 mt-30 59.99 37.89 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' OE1' HG11 ' A' ' 19' ' ' VAL . 10.3 mt-30 -149.83 150.75 32.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.645 HG12 HG21 ' A' ' 25' ' ' VAL . 48.7 t -75.85 119.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 19' ' ' VAL . 37.5 m-85 -128.5 149.5 50.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -85.89 127.46 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.1 mp -42.73 -22.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' HIS . 75.7 m -96.91 -53.06 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 75.6 m -53.21 -33.79 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.3 t80 -54.46 83.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 48.7 mtt-85 -140.78 169.57 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.56 141.12 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 20.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.4 t80 -127.8 -54.85 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.12 -11.24 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 64.78 35.89 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -95.31 143.37 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -67.41 151.72 46.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.28 179.24 6.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.7 m -138.35 149.85 46.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.43 104.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.7 -37.63 1.92 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -98.47 -37.98 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 11.1 p90 -53.89 155.81 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -142.43 109.17 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.8 p -95.25 123.35 38.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' A' ' 74' ' ' PHE . 49.3 tp -108.38 91.44 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 72.74 25.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.12 -32.38 6.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -76.6 121.96 23.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.75 138.97 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -144.08 141.29 29.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.1 p -70.3 169.01 14.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 9.1 mmtp -60.0 -52.82 70.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.04 -64.23 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 23.4 m170 -60.03 -51.1 71.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 82.5 t80 -48.38 -20.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.86 -28.05 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' HIS . 27.6 tp60 -90.6 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt -48.25 -27.7 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -101.25 -67.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.81 140.07 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -172.25 165.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -50.43 -43.73 55.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 47.81 90.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.99 126.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.73 169.11 22.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -126.24 24.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -126.73 76.3 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.28 46.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -121.79 121.35 37.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.17 124.18 2.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -47.4 116.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.71 65.28 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.48 50.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -115.61 105.89 13.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.5 m -62.49 95.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.523 -179.958 . . . . . . . . 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 -0.352 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -119.31 158.62 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -172.72 157.17 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 106.4 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -50.58 127.36 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 t -154.24 119.78 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.93 90.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -125.36 148.89 48.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -165.09 153.05 11.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -111.96 164.99 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -42.86 123.82 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -49.44 -57.0 13.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.0 Cg_endo -69.73 -0.95 7.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.39 42.44 31.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.4 171.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' A' ' 37' ' ' VAL . 20.9 mm-40 -91.74 171.47 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.96 145.83 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.533 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.8 t -67.41 127.37 32.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.2 m -84.53 15.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -116.36 -57.02 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.96 -12.32 18.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 66.89 50.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -126.33 134.43 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 m -43.43 108.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.756 HG21 HG12 ' A' ' 37' ' ' VAL . 82.8 t -78.69 122.36 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.91 161.68 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.704 0.764 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.93 4.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 ttm -104.82 -25.2 12.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 40' ' ' ILE . 10.6 pt-20 -120.18 22.75 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -84.03 106.55 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.4 tt -115.22 105.81 13.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -67.27 128.2 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.11 112.23 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' CG ' ' OG ' ' A' ' 59' ' ' SER . 28.4 t30 64.69 37.84 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' A' ' 32' ' ' LEU . 27.9 mt-30 64.59 36.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -148.16 148.25 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.773 HG21 ' HB3' ' A' ' 16' ' ' GLU . 57.6 t -76.17 120.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.8 m-85 -128.86 150.54 50.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' SER . 6.0 m170 -86.17 124.75 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.2 mp -40.55 -24.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' HIS . 29.1 t -94.06 -54.36 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 90.9 m -50.77 -40.17 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.5 t80 -42.22 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 55.3 mtm180 -153.3 171.41 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.4 t -75.13 142.19 43.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -83.57 26.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -133.49 -52.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -104.6 -24.68 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.39 45.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -100.54 146.04 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 135.9 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -128.55 -179.18 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -150.38 160.11 43.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -55.61 98.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.88 -39.39 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -99.62 8.12 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -112.13 142.3 44.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -124.62 103.7 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 34' ' ' ASN . 79.9 p -88.05 127.88 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.087 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 20.4 tp -123.04 98.04 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 74.66 24.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.84 -23.77 32.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.54 130.1 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.2 mm -84.26 146.11 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -149.91 148.34 29.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -83.53 136.04 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' CYS . 1.9 mptp? -29.98 -54.61 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.8 Cg_exo -47.98 -67.59 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.545 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.3 m170 -59.16 -43.76 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 11.7 t80 -52.16 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -17.0 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -80.3 -57.65 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.087 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.2 m-85 -72.68 -71.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 4.6 tmtm? -76.63 148.85 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -169.95 149.8 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.27 120.53 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.56 120.23 18.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -82.6 153.29 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -143.81 152.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 49.04 24.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.94 40.09 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.96 -39.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.4 127.18 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.57 145.06 9.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -66.98 147.61 53.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.15 -170.88 17.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.18 14.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m -40.58 128.88 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -59.5 148.26 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.468 -179.975 . . . . . . . . 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 1.452 -0.281 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -114.78 114.95 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -74.37 97.36 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.04 -140.66 8.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -168.14 114.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -169.69 125.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.17 107.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -56.31 160.86 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.77 84.65 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -101.61 131.63 47.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -82.75 110.95 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -53.27 -59.48 9.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.4 Cg_endo -69.83 4.56 2.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.232 . . . . 0.0 112.341 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 55.55 51.14 13.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -70.95 146.4 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.0 mp0 -96.92 159.04 15.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.95 147.42 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.1 t -67.58 136.45 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.4 m -91.37 14.57 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -117.04 -56.64 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.24 -13.61 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 67.39 50.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.61 132.1 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.8 m -40.7 105.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 18' ' ' CYS . 83.1 t -75.4 126.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -84.56 160.37 56.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.42 2.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -107.27 -22.56 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.9 pt-20 -123.77 21.67 9.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' NH2' HD23 ' A' ' 32' ' ' LEU . 47.3 ttt-85 -83.49 106.33 15.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.9 tt -113.68 112.4 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -76.36 123.51 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -146.21 111.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 70.13 37.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.7 mt-30 61.64 38.25 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -149.77 150.8 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.625 HG12 HG21 ' A' ' 25' ' ' VAL . 39.4 t -77.57 122.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.1 m-85 -132.19 149.38 52.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.06 124.67 32.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.8 mp -38.95 -25.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -93.89 -54.71 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 86.9 m -49.55 -40.04 36.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.54 87.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' CYS . 62.8 mtt180 -151.91 156.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.73 139.18 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -81.47 17.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.5 t80 -124.57 -58.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.48 -17.92 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.24 42.99 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -99.36 147.94 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -65.3 129.16 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -123.36 178.24 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.3 p -131.84 -175.63 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.67 46.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.79 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -95.21 -12.37 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -74.05 165.76 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.0 112.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.9 p -101.75 148.07 25.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 41.2 tp -118.44 -68.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.418 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 24.2 m170 -117.38 -23.04 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.82 -30.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -92.25 147.24 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -88.63 155.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -150.33 151.36 32.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.2 p -85.11 138.83 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -30.54 -55.33 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -67.06 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.5 m170 -58.93 -46.86 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.801 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 15.4 t80 -48.44 -64.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -24.4 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 34.1 tt0 -77.4 -66.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.48 -32.36 73.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.801 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -81.98 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 72' ' ' GLN . 3.9 tppt? -83.82 165.97 18.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.3 p -156.76 150.77 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 108.22 19.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . 63.81 -95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 78' ' ' GLY . 21.0 m-80 33.36 46.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.46 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.38 101.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.03 41.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.35 77.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -55.69 130.38 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.54 -165.46 40.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.2 p -112.89 83.72 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.68 -95.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.49 50.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.3 p -88.7 151.52 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.6 t -87.1 134.23 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.502 179.982 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -107.21 94.44 5.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -164.01 139.96 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.17 83.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -126.22 160.2 30.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -145.57 109.0 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.31 74.37 2.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.5 mtt -149.32 112.87 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -162.11 143.82 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -142.96 160.81 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.454 ' NE2' ' CG2' ' A' ' 37' ' ' VAL . 24.3 mt-30 -47.78 166.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -43.94 170.06 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 53.3 Cg_endo -69.77 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.234 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.57 47.05 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.822 ' HG3' ' HB3' ' A' ' 12' ' ' ALA . 6.7 ptp180 -179.79 165.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.8 mp0 -101.39 153.03 20.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 150.77 48.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -73.64 135.2 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -88.99 15.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.31 -55.36 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -102.66 -12.33 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 79.7 mm-40 66.68 52.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 4.3 mptp? -126.57 138.1 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -47.45 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 37' ' ' VAL . 87.6 t -75.31 127.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.83 162.39 52.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ptm -107.58 -25.17 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 7.3 pt-20 -121.66 27.37 8.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HA ' HG11 ' A' ' 25' ' ' VAL . 65.6 ttt-85 -90.18 96.28 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -101.82 114.68 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.14 125.32 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.85 110.25 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.438 ' CG ' ' HB3' ' A' ' 59' ' ' SER . 3.3 m120 62.01 49.19 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 54.34 38.83 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -149.68 148.38 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 25' ' ' VAL . 56.4 t -78.26 121.9 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -128.35 151.13 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.5 m170 -87.2 125.87 34.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 2.8 mp -40.95 -23.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 39' ' ' HIS . 74.0 m -95.93 -54.07 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.9 m -51.06 -37.73 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.0 t80 -45.66 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' CYS . 54.5 mtm180 -146.94 167.63 23.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.87 135.83 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.2 p -78.86 18.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -123.96 -52.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.23 -18.16 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.47 49.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -106.15 148.39 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 137.26 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -134.01 -174.75 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -157.3 -177.52 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.1 mt -77.48 42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 -30.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -125.14 31.43 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -111.99 164.15 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -167.24 121.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 34' ' ' ASN . 9.3 t -114.17 156.54 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 32.0 tp -123.91 -67.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.37 41.09 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.5 -31.03 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -84.41 129.62 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.59 158.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 59.7 m-85 -154.26 152.69 30.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.0 p -86.35 140.34 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.74 -53.67 0.61 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.3 Cg_exo -48.0 -66.01 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.668 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.2 m170 -60.11 -41.9 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.81 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 27.4 t80 -54.26 -69.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -50.3 -19.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 32.0 tt0 -82.77 -70.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.74 -33.91 73.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.81 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 -77.8 -64.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -78.6 171.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.9 t -157.94 109.15 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.2 mmmp? -36.14 -56.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.79 -169.76 42.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 60.57 41.08 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -39.71 146.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -131.5 172.46 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.47 43.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.24 72.98 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -135.26 135.22 40.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 173.93 136.11 2.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -130.37 100.23 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.37 121.97 4.3 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 111.42 2.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -70.47 165.3 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 m -154.5 168.2 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.459 -179.996 . . . . . . . . 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 1.45 -0.393 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -91.23 86.03 6.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -122.49 169.31 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.98 100.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -78.49 109.06 12.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -86.77 -45.23 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.04 111.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ptp -80.85 42.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.3 97.49 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -141.43 177.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -47.37 115.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -39.42 -60.9 1.13 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.558 0.694 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.81 149.8 67.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.03 100.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -96.12 136.51 36.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -88.97 167.97 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 152.2 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 44.9 t -77.51 135.1 38.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.612 HG11 ' OE1' ' A' ' 36' ' ' GLN . 34.8 m -90.56 18.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -121.11 -48.11 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.78 -13.02 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 68.72 51.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -127.61 134.74 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.768 HG21 HG12 ' A' ' 37' ' ' VAL . 93.0 t -71.04 127.38 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -81.86 161.19 61.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.667 0.746 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.57 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.55 -31.59 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.7 pt-20 -113.28 23.16 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HA ' HG11 ' A' ' 25' ' ' VAL . 36.6 ttt180 -83.98 100.58 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 31' ' ' LEU . 8.5 tt -106.96 107.65 18.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -70.01 123.41 21.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.67 111.89 5.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 14.8 t-20 65.69 41.01 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.461 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.3 mt-30 59.42 36.34 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' HG11 ' A' ' 19' ' ' VAL . 7.6 mt-30 -147.13 147.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.768 HG12 HG21 ' A' ' 25' ' ' VAL . 44.8 t -75.43 119.76 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 19' ' ' VAL . 36.0 m-85 -128.52 149.13 50.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -86.13 126.44 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.0 mp -41.85 -23.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.3 t -95.8 -53.25 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -52.09 -39.25 59.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -45.81 90.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.4 mtm180 -147.07 176.85 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.83 137.78 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -79.82 15.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -122.75 -54.61 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -104.16 -20.66 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.28 48.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -104.39 140.82 37.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.2 mmtp -53.33 146.69 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 51' ' ' LYS . 20.8 mt -140.98 170.41 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -140.02 158.42 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.15 103.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.11 -36.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 70.7 p -98.63 -43.63 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -46.11 168.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -166.02 113.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 12.9 t -103.19 154.27 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 31.4 tp -123.75 -63.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -118.03 35.63 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.5 -30.05 10.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -87.4 139.9 30.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 8.2 mm -81.31 161.13 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 56.7 m-85 -157.49 140.96 15.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 31.8 p -74.09 144.67 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.641 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 18.0 mmtt -37.69 -51.36 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.5 Cg_exo -47.89 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 11.6 m170 -59.19 -44.37 92.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.811 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 34.0 t80 -52.2 -69.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -50.51 -16.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 12.4 tt0 -87.76 -69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.78 -39.57 92.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.811 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 5.4 m-85 -69.89 -57.22 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 8.2 tttt -76.43 175.65 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.1 m -157.84 155.88 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -66.41 123.62 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.14 -156.08 23.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.436 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 28.9 t-20 -134.19 114.99 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ASP . 32.4 m-85 -143.8 157.64 44.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' TYR . 5.1 t70 -37.47 141.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -128.23 41.62 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.41 44.08 3.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.96 129.79 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.6 140.84 15.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -128.51 164.54 22.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.31 161.65 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.25 67.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -55.2 115.6 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -51.21 175.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.488 179.973 . . . . . . . . 0 0 . 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 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -99.48 98.59 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.93 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.8 p -115.55 140.59 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.39 131.54 1.82 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -96.52 149.87 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -155.06 142.08 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.01 135.45 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mmm -122.36 80.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -87.96 103.72 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' ALA . 35.1 p90 -94.74 156.1 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 2.9 pp0? -58.84 77.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -43.49 -58.82 3.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 111.054 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.3 Cg_endo -69.74 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.49 69.47 5.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -147.97 163.68 36.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 37' ' ' VAL . 51.2 mm-40 -98.25 175.53 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.48 153.43 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 31.3 t -78.92 124.32 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG11 ' OE1' ' A' ' 36' ' ' GLN . 29.4 m -79.5 13.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -114.88 -58.48 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.83 -12.83 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 86.5 mm-40 67.82 50.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.15 133.06 51.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -45.02 104.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.759 HG21 HG12 ' A' ' 37' ' ' VAL . 89.1 t -72.96 129.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.05 162.25 49.99 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.695 0.76 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 53.8 Cg_endo -69.75 4.74 2.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.436 ' CE ' ' HG2' ' A' ' 27' ' ' PRO . 2.2 mpt? -107.3 -33.5 7.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.5 pt-20 -113.03 23.33 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.485 ' HA ' HG11 ' A' ' 25' ' ' VAL . 41.3 ttt180 -85.82 104.94 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.9 tt -112.87 108.42 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -68.14 126.84 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.652 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -147.05 114.52 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m120 62.45 41.15 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 32' ' ' LEU . 23.5 mt-30 61.21 38.2 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.718 ' OE1' HG11 ' A' ' 19' ' ' VAL . 13.4 mt-30 -150.16 151.19 32.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.759 HG12 HG21 ' A' ' 25' ' ' VAL . 58.3 t -78.72 120.32 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -127.53 151.47 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -88.33 123.37 32.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.488 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.3 mp -38.5 -25.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -50.69 -39.74 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 1.4 t80 -48.17 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' CYS . 88.5 mtt180 -147.86 161.48 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -66.19 139.13 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -83.95 27.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.1 t80 -131.82 -56.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 p -98.48 -26.36 14.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.9 t30 74.79 40.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -98.43 143.6 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.15 135.02 57.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 mt -126.95 175.07 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -145.74 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -49.18 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.85 -34.32 2.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.3 p -96.92 -31.39 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 111.114 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 10.8 p90 -61.79 165.37 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.22 111.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 t -96.3 163.4 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 22.4 tp -127.98 -74.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -114.27 -40.18 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.33 30.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -152.4 132.18 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.55 151.05 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -147.92 151.27 35.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 24.3 p -86.36 147.08 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 30.4 mmtt -41.81 -48.51 10.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.1 Cg_exo -47.97 -61.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.737 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.4 m170 -68.25 -48.64 64.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.747 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 30.9 t80 -44.22 -59.05 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -51.84 -20.72 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -93.46 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.87 -30.06 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.747 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -93.14 -68.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 76' ' ' SER . 4.6 tmtt? -83.78 152.2 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 89.6 p -155.1 126.09 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -114.27 -53.81 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.49 -87.22 1.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -64.32 150.21 46.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -129.72 148.85 51.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 160.22 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.96 41.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.54 51.09 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -89.34 120.04 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.14 154.48 25.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.9 p -161.75 160.03 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.23 -163.63 24.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 166.41 27.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.0 t -145.74 134.59 22.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.3 t -138.24 173.6 11.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.472 179.982 . . . . . . . . 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 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -163.41 156.41 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -158.29 169.36 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 113.9 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.41 120.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -151.6 146.17 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 82.28 111.72 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 1.6 mpt? -143.18 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -122.89 146.47 47.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -162.97 164.8 25.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.474 ' HB3' ' CD ' ' A' ' 15' ' ' ARG . 8.9 pt20 -84.24 151.12 25.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -131.39 -72.44 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.4 Cg_endo -69.77 -54.45 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.75 2.3 . . . . 0.0 112.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -178.15 149.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.865 ' HD2' HG23 ' A' ' 24' ' ' THR . 3.8 ptt180 -165.28 174.13 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 66.2 mt-10 -107.04 148.19 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 146.86 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -70.1 128.37 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -83.27 14.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 42' ' ' CYS . 14.7 mt-10 -117.32 -63.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -94.66 -20.93 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm100 74.5 52.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -127.09 130.78 50.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.865 HG23 ' HD2' ' A' ' 15' ' ' ARG . 3.2 m -39.14 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 96.2 t -75.43 123.34 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.44 162.43 58.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.24 2.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -105.6 -27.54 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.498 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.7 pt-20 -118.46 23.43 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 28.5 ttt180 -85.63 103.54 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -110.73 114.28 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -74.05 129.29 37.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -151.27 115.54 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 59' ' ' SER . 7.4 m120 62.17 39.51 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 32' ' ' LEU . 24.5 mt-30 61.02 40.74 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -151.6 155.72 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 41.6 t -81.89 123.25 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.2 m-85 -131.95 150.81 52.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.7 m170 -87.31 124.09 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.6 mp -38.79 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 t -93.65 -53.93 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -51.81 -33.17 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.78 86.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 42' ' ' CYS . 69.6 mtt180 -139.45 168.35 20.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.9 139.41 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -81.02 23.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -131.4 -60.75 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -96.41 -25.17 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 72.53 54.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -115.56 124.99 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' CE ' ' HA ' ' A' ' 41' ' ' SER . 22.2 tttt -45.5 134.07 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.17 -177.15 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LEU . 16.8 m -153.15 140.07 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 32' ' ' LEU . 54.0 mt -37.51 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 138.54 -29.28 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -115.71 15.65 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -108.99 162.54 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.01 118.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.407 ' CB ' ' OD1' ' A' ' 34' ' ' ASN . 22.7 t -108.12 162.21 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 47.7 tp -133.71 -75.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -104.19 55.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.72 29.34 67.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -142.37 127.13 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.51 142.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -142.16 146.16 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.406 ' HB2' ' HD2' ' A' ' 68' ' ' PRO . 31.3 p -79.15 147.58 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.8 mptp? -39.88 -52.23 5.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 65.5 Cg_exo -48.01 -66.28 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.779 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.4 m170 -59.71 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 24.9 t80 -49.6 -53.64 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.9 t30 -65.22 -2.99 3.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 10.7 tp60 -105.41 -57.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -89.74 -59.09 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -60.37 178.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 78' ' ' GLY . 40.0 t -125.29 84.89 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 34.35 33.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -35.63 -40.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -55.6 174.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.5 11.42 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -159.13 137.69 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.74 37.06 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 -33.49 2.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 84' ' ' PHE . 29.7 t80 63.86 44.68 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.86 115.39 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -125.32 170.69 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.15 92.36 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 172.39 12.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.24 166.22 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -139.26 156.89 46.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.482 179.99 . . . . . . . . 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 N--CA 1.451 -0.329 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -104.57 137.57 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -82.64 93.6 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.74 74.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -136.97 113.72 10.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -50.91 143.37 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.94 53.02 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -42.88 160.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 33.1 tttt -149.64 138.56 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 9' ' ' LYS . 51.2 m-85 -156.62 173.68 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -110.72 141.25 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -66.86 -60.1 6.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.1 Cg_endo -69.75 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.387 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.61 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.685 ' HD2' HG23 ' A' ' 24' ' ' THR . 12.2 ptt85 -137.83 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' OE2' ' CG2' ' A' ' 37' ' ' VAL . 27.2 mt-10 -100.29 148.84 24.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.14 149.2 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -74.62 128.45 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -83.03 16.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 5.5 mm-40 -118.76 -56.39 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.18 -13.7 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 40.8 mm-40 68.29 51.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 11.9 mptt -126.18 132.3 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.685 HG23 ' HD2' ' A' ' 15' ' ' ARG . 89.8 m -42.65 103.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG12 ' A' ' 37' ' ' VAL . 98.1 t -72.91 126.67 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.8 161.58 57.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.715 0.769 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.74 -27.69 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HA ' HD13 ' A' ' 40' ' ' ILE . 17.2 pt-20 -118.26 26.16 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.65 ' NH2' HD23 ' A' ' 32' ' ' LEU . 39.1 ttt-85 -87.48 104.44 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 31' ' ' LEU . 7.8 tt -112.54 111.25 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -71.07 128.82 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.62 112.91 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m120 61.93 41.38 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.9 mt-30 61.09 42.02 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -153.42 148.28 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG12 HG21 ' A' ' 25' ' ' VAL . 58.6 t -78.33 117.72 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.4 m-85 -124.08 150.85 44.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.6 m170 -86.53 123.67 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.66 -24.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' HIS . 32.7 t -93.8 -53.86 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 91.8 m -50.82 -40.7 56.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 2.0 t80 -46.69 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -151.27 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.87 140.63 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.84 28.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.1 t80 -134.84 -51.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -110.03 -16.32 13.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.26 50.29 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 138.29 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -131.01 -177.02 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m -148.71 159.03 44.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.44 103.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.43 -39.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -96.52 -27.04 15.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 4.0 p90 -68.07 141.82 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -129.0 97.37 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.459 ' OG ' HD13 ' A' ' 64' ' ' ILE . 34.3 m -91.04 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.799 HD13 ' HE2' ' A' ' 74' ' ' PHE . 7.3 tp -113.41 122.89 48.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.9 m80 64.88 25.36 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.48 10.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -79.78 135.9 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 3.9 mm -84.12 157.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ILE . 64.6 m-85 -160.98 159.62 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.68 165.12 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.591 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 8.8 mmtt -55.37 -51.37 80.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.8 Cg_exo -47.92 -64.7 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 27.5 m170 -63.12 -48.72 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.775 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 72.8 t80 -50.57 -15.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 77.3 m-20 -101.33 -21.3 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -89.63 -37.36 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.14 -37.3 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' A' ' 60' ' ' LEU . 2.9 m-85 -82.18 -61.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 3.5 tttp -72.36 -178.79 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 p -167.6 172.81 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -155.37 136.83 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.34 64.35 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.57 147.24 27.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -122.23 126.34 48.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -112.49 169.35 8.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -92.06 41.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.98 -43.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -86.92 101.09 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.7 92.37 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 m -118.92 162.58 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.385 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.54 155.66 9.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 170.71 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 t -96.21 114.84 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.4 p -114.2 122.1 45.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.456 -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 ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.8 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.956 0.407 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 147.54 40.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.7 t -67.89 130.4 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.728 HG11 ' NE2' ' A' ' 36' ' ' GLN . 23.5 m -85.25 15.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -116.79 -57.66 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.1 p -100.25 -13.29 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 68.81 46.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.8 155.13 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -61.8 108.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 91.0 t -79.83 121.39 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -81.47 162.58 57.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptm -105.79 -27.66 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.3 pt-20 -117.39 19.9 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -82.13 105.97 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.1 tt -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -69.11 127.38 32.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.07 113.48 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t30 64.17 40.0 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.3 mt-30 62.53 33.4 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.728 ' NE2' HG11 ' A' ' 19' ' ' VAL . 30.5 mt-30 -146.16 145.55 30.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 91.8 t -75.47 121.74 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.0 m-85 -128.08 152.15 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.73 123.0 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.85 -25.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 28.0 t -93.4 -54.75 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -50.55 -39.67 49.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.07 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' CYS . 50.3 mtm180 -147.84 177.34 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.7 t -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 m -79.28 16.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -120.31 -52.58 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.47 -23.79 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.5 t30 69.73 53.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.13 154.36 25.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.84 132.24 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -130.46 173.62 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -129.71 -176.46 3.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 32' ' ' LEU . 36.4 mt -77.57 46.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.88 -32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -95.66 -15.96 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 111.156 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.28 176.41 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.02 107.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -101.48 145.49 28.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 46.8 tp -118.89 -73.53 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -109.66 34.78 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -30.06 9.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -85.25 142.9 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 9.1 mm -87.79 155.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 74.4 m-85 -156.96 148.66 22.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.9 p -83.96 138.9 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.8 mptp? -29.41 -55.08 0.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.5 Cg_exo -47.9 -66.18 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 17.8 m170 -62.24 -49.2 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.749 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 1.4 t80 -45.85 -50.97 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.33 -38.77 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 19.5 tt0 -58.65 -23.22 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.78 -49.87 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.749 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.8 m-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' HG21 ' A' ' 37' ' ' VAL . 12.1 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.919 0.39 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.76 150.17 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 25' ' ' VAL . 51.6 t -79.59 132.23 36.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.2 m -87.55 19.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.06 -48.74 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.49 -13.98 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 35.7 mm-40 68.89 50.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 13.7 mptt -125.94 132.79 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 m -41.19 107.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG21 HG12 ' A' ' 37' ' ' VAL . 74.5 t -78.22 123.06 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.57 161.9 67.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.733 0.778 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 3.39 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mtt -107.04 -27.73 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.3 pt-20 -117.35 21.58 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HA ' HG11 ' A' ' 25' ' ' VAL . 58.8 ttt180 -85.53 90.47 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -96.32 111.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.91 129.49 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -152.31 115.79 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 78.6 m-20 62.47 39.2 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.3 38.92 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -149.82 149.8 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.684 HG12 HG21 ' A' ' 25' ' ' VAL . 45.2 t -76.32 119.65 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.7 m-85 -128.06 150.0 50.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.94 127.02 35.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -42.15 -23.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 71.7 m -95.2 -55.23 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -49.8 -37.39 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.6 93.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 41' ' ' SER . 54.8 mtm-85 -153.97 167.36 30.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.88 142.51 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 2.5 t -82.93 22.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.607 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.13 -56.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -98.49 -26.22 14.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t30 69.97 41.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -102.19 122.13 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -41.14 131.03 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -114.95 -178.36 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -141.47 146.38 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.3 mt -45.45 109.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.43 -43.98 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.4 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . 62.8 p -82.99 -41.22 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 64' ' ' ILE . 24.8 p90 -48.06 176.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -169.91 106.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.46 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 24.7 p -93.28 168.9 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 tp -128.66 -68.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.497 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 60.9 m170 -117.11 -28.67 6.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.05 -32.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.02 160.45 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 11.8 mm -98.89 150.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.6 m-85 -144.43 145.78 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.504 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 29.0 p -78.17 134.41 37.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 12.9 mttt -31.53 -53.07 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.5 Cg_exo -47.95 -62.91 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.308 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.3 m170 -62.47 -44.06 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.741 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.9 t80 -50.13 -56.26 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.6 t30 -70.11 2.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -106.79 -34.16 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.93 -26.82 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.741 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.717 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.7 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.93 0.395 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.77 145.06 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -65.0 133.02 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.621 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.1 m -87.49 15.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -119.05 -62.51 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -94.78 -8.74 36.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 61.96 54.85 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -126.67 152.83 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 m -59.96 102.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -74.55 123.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.66 162.43 55.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.681 0.753 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.311 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.1 ptm -105.87 -26.5 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -120.67 25.33 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 32' ' ' LEU . 51.0 ttt-85 -88.37 101.33 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -106.87 111.88 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.78 128.69 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.34 112.72 4.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.052 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.4 m120 61.08 44.57 10.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 57.92 38.29 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -147.93 151.15 35.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 16' ' ' GLU . 70.0 t -80.02 119.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.684 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.8 m-85 -127.9 151.08 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.1 m170 -87.6 128.91 35.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.3 mp -45.3 -20.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' HIS . 73.4 m -97.81 -52.09 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.2 m -52.81 -39.16 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.31 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.0 mtt180 -145.8 166.58 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.73 142.85 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t -83.18 27.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.92 -59.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.47 -25.69 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 72.26 53.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -114.81 126.77 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -45.8 135.94 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.54 -174.5 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 m -150.44 151.99 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.3 mt -48.84 101.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.11 -41.94 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 10.0 t -95.81 -35.61 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -53.97 157.91 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -153.59 113.72 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 2.7 t -104.68 140.21 38.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.8 tp -115.59 -71.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -107.43 39.25 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.48 -25.89 26.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 12.9 mtm105 -88.8 147.29 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mm -89.73 156.07 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.3 m-85 -154.61 145.5 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.482 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . 25.0 p -77.9 150.63 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.595 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 37.1 mmtt -44.76 -47.82 28.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.3 Cg_exo -48.04 -67.15 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.652 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 19.0 m170 -62.63 -47.42 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.781 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 16.2 t80 -48.05 -55.59 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -71.86 2.18 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -106.49 -30.99 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.03 -30.01 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -143.85 155.96 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 25' ' ' VAL . 32.4 t -80.62 125.45 30.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 36' ' ' GLN . 27.6 m -79.39 13.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG3' ' CD1' ' A' ' 38' ' ' PHE . 10.4 mt-10 -115.76 -54.1 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.49 -7.25 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mp0 62.85 48.19 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -123.11 131.42 53.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m -42.74 105.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.779 HG21 HG12 ' A' ' 37' ' ' VAL . 93.7 t -74.12 125.14 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.99 163.33 53.77 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.683 0.754 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mmt -99.94 -31.19 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 14.6 pt-20 -115.85 30.19 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.682 ' NH2' HD23 ' A' ' 32' ' ' LEU . 49.1 ttt-85 -91.34 105.4 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -111.85 111.58 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.682 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -72.94 124.34 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.91 110.15 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.5 m-20 62.83 40.78 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.527 ' HA ' HD11 ' A' ' 32' ' ' LEU . 20.4 mt-30 62.25 42.01 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' OE1' HG11 ' A' ' 19' ' ' VAL . 6.3 mt-30 -151.53 145.19 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.779 HG12 HG21 ' A' ' 25' ' ' VAL . 49.0 t -76.89 117.81 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.3 m-85 -125.84 151.42 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -86.92 122.95 31.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.76 -25.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' HIS . 33.8 t -93.24 -54.24 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.4 m -50.88 -40.09 55.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -43.86 90.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.7 mtt-85 -141.6 173.51 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.6 t -84.09 138.37 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 p -81.16 27.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.796 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.76 -53.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 p -103.45 -29.81 10.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.99 54.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.6 m-20 -115.32 118.42 33.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -36.92 126.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 19.0 mt -114.26 -174.7 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -143.11 174.49 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' O ' ' A' ' 32' ' ' LEU . 93.5 mt -75.53 48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.86 -30.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.2 p -108.05 11.74 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -96.34 172.24 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.52 109.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.47 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -105.61 149.68 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 34.8 tp -115.08 -69.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.8 m-70 -115.18 47.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.57 6.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -82.31 135.04 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 59' ' ' SER . 9.8 mm -81.84 150.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.2 m-85 -148.33 150.33 33.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 p -80.64 168.15 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 1.7 mptp? -58.05 -54.96 50.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -59.42 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.796 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.0 m170 -64.39 -49.9 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.782 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 19.6 t80 -49.82 -50.78 43.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.12 -4.06 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 2.6 tp60 -106.43 -55.82 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.49 -26.56 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' OE1' HG11 ' A' ' 37' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.946 0.403 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.76 143.11 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' HG23 ' A' ' 25' ' ' VAL . 30.6 t -69.64 127.26 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.678 HG11 ' NE2' ' A' ' 36' ' ' GLN . 29.6 m -83.49 15.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -117.11 -55.42 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -104.16 -13.37 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.443 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 19.9 mm-40 66.78 50.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -126.05 131.95 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -39.71 107.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.758 HG21 HG12 ' A' ' 37' ' ' VAL . 75.0 t -78.09 120.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -76.29 159.37 80.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.686 0.755 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 ttt -109.41 -20.41 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.8 pt-20 -123.53 26.36 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.616 ' NH2' HD23 ' A' ' 32' ' ' LEU . 40.3 ttt-85 -89.91 108.96 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 31' ' ' LEU . 6.8 tt -116.03 108.83 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -65.75 123.21 19.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -144.19 110.21 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.3 t30 64.84 39.98 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.9 mt-30 63.07 35.87 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.678 ' NE2' HG11 ' A' ' 19' ' ' VAL . 32.5 mt-30 -147.97 151.9 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.758 HG12 HG21 ' A' ' 25' ' ' VAL . 87.8 t -79.56 119.46 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.725 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 29.0 m-85 -125.86 149.88 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -84.94 123.32 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.9 mp -40.0 -24.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.8 t -93.53 -53.42 4.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.5 m -51.34 -42.03 61.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -43.19 90.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 52.4 mtm180 -140.6 172.1 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -81.79 142.4 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -82.17 26.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -134.99 -54.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.2 -26.11 13.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 t30 74.73 40.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -101.15 126.23 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -47.7 132.78 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -123.45 -174.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.45 164.4 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 mt -47.7 111.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.67 -36.13 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD ' ' A' ' 67' ' ' LYS . 50.1 p -92.18 -27.59 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -75.5 174.78 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -171.8 109.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.4 t -99.43 156.42 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 45.5 tp -129.05 -67.72 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -112.59 32.86 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.25 -26.69 16.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -89.55 146.03 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -89.17 155.07 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -154.24 150.41 28.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.0 p -83.45 136.29 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.4 mptp? -29.24 -55.34 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.536 0.684 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.7 Cg_exo -48.01 -66.43 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.635 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.3 m170 -59.03 -41.71 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.771 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 17.8 t80 -52.03 -66.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -53.3 -26.62 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 35.7 tt0 -72.9 -68.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.38 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.771 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 37' ' ' VAL . 1.3 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 149.09 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.606 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.9 t -66.54 130.05 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.1 m -85.06 16.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.43 -60.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -99.79 -0.48 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 55.3 49.05 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -123.02 136.12 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -47.62 105.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 37' ' ' VAL . 82.4 t -73.21 128.4 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.11 159.46 59.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.661 0.743 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 4.62 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -107.64 -23.39 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -123.0 23.9 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -84.34 100.38 11.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -106.14 109.16 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.21 123.87 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.47 112.33 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 15.0 t-20 67.09 39.83 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.7 mt-30 60.56 34.57 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.544 ' OE1' HG11 ' A' ' 19' ' ' VAL . 8.0 mt-30 -145.68 149.91 35.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 25' ' ' VAL . 98.7 t -78.18 119.51 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.1 m-85 -127.49 157.16 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -91.71 127.43 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.422 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 2.4 mp -43.6 -21.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.7 m -97.03 -54.14 3.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -51.42 -39.26 56.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.9 t80 -47.77 95.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 45.5 mtm180 -151.74 168.8 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.2 t -74.02 141.59 45.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -82.07 23.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.68 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.23 -58.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -95.65 -29.37 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.3 t30 74.98 50.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -109.08 140.2 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 1.8 mtpm? -55.74 131.03 45.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.8 179.29 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 71.6 m -147.5 159.51 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.84 83.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 156.92 -31.8 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -114.5 15.93 17.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -110.25 139.12 45.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.26 103.57 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.58 ' OG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -86.32 149.67 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.883 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 44.9 tp -134.75 89.35 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.8 m170 75.01 25.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.67 -26.91 11.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -84.63 123.93 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.58 HD13 ' OG ' ' A' ' 59' ' ' SER . 7.9 mm -81.77 140.29 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -143.68 147.67 34.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.5 p -82.08 137.11 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -30.5 -54.46 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.0 Cg_exo -47.99 -66.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.2 m170 -59.86 -42.44 93.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 27.2 t80 -55.3 -68.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -52.06 -17.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 13.8 tt0 -84.57 -70.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.09 -28.93 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.883 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 37' ' ' VAL . 4.7 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.85 145.98 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.6 t -62.52 138.61 58.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 38' ' ' PHE . 29.1 m -94.2 17.06 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -120.51 -52.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.21 -14.66 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 67.92 52.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -126.88 132.81 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.7 m -41.29 104.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -76.42 123.56 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -80.52 161.59 63.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.5 mtt -106.09 -23.55 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.8 pt-20 -122.12 26.46 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -88.7 98.96 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.5 tt -106.13 109.57 21.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.98 126.52 29.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.4 113.18 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 67.4 39.57 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.5 mt-30 61.98 36.17 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.458 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.5 mt-30 -148.88 155.69 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG12 HG21 ' A' ' 25' ' ' VAL . 89.0 t -81.96 120.05 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 35.5 m-85 -126.89 150.43 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.451 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.4 m170 -85.62 127.31 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -43.53 -21.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.1 m -96.53 -53.59 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' ARG . 94.5 m -50.9 -39.99 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.99 93.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.1 mtt180 -155.73 146.45 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.0 t -50.83 137.01 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.496 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 5.5 p -81.75 21.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.7 t80 -125.15 -55.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.11 -20.21 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 67.39 48.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -56.61 134.98 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.92 174.1 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.3 p -126.81 -178.78 4.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 32' ' ' LEU . 82.4 mt -79.9 42.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.65 -33.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 t -98.57 -17.27 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -67.95 150.27 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -148.68 110.76 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.9 p -99.22 149.49 23.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 39.5 tp -128.12 -73.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.03 39.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.28 -27.16 21.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -88.18 152.47 21.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 4.3 mm -94.44 156.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 66.3 m-85 -155.26 145.37 21.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 27.7 p -78.36 148.42 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 26.4 mmtt -41.54 -49.14 9.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.95 -66.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.3 m170 -62.6 -45.62 92.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 32.8 t80 -47.87 -61.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -54.93 -15.46 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 38.7 tt0 -92.12 -67.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.22 -29.03 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.955 0.407 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 150.66 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.548 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.3 t -68.75 135.13 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.62 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.7 m -88.16 17.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -120.63 -48.55 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 14.7 p -111.12 -14.44 13.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 55.5 mm-40 69.43 37.87 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HE3' ' C ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -110.77 136.28 50.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -44.94 103.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG12 ' A' ' 37' ' ' VAL . 77.4 t -74.17 126.64 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -82.83 160.7 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.722 0.772 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mtt -107.02 -24.34 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HA ' HD13 ' A' ' 40' ' ' ILE . 11.6 pt-20 -122.25 27.83 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -90.07 94.47 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.4 tt -99.22 111.28 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.41 126.74 30.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.17 110.45 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' ND2' ' OH ' ' A' ' 57' ' ' TYR . 1.6 m-80 62.96 49.7 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 53.94 41.07 32.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.535 ' NE2' HG11 ' A' ' 19' ' ' VAL . 17.8 mt-30 -151.3 148.43 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 HG21 ' A' ' 25' ' ' VAL . 96.0 t -80.1 121.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.8 m-85 -129.14 150.24 50.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m170 -85.61 128.8 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.5 mp -45.1 -20.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' HIS . 71.7 m -98.68 -51.71 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 95.6 m -52.52 -38.06 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.6 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' CYS . 79.8 mtt180 -146.9 170.86 16.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.1 t -79.65 136.65 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t -75.65 11.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -118.61 -65.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.9 p -88.25 -21.33 24.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.71 47.32 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -105.58 150.9 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 130.44 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -126.66 -178.95 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' GLY . 57.8 m -162.89 158.04 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 32' ' ' LEU . 38.5 mt -48.79 90.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 150.15 -31.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 t -119.58 17.9 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' OH ' ' ND2' ' A' ' 34' ' ' ASN . 2.6 p90 -112.38 172.26 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -170.47 118.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 157.82 17.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 55.2 tp -128.48 -65.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 98.0 m-70 -113.78 38.45 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.66 -30.3 10.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -83.06 158.35 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.24 150.44 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -151.0 141.35 22.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.4 p -73.12 140.48 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -32.87 -54.1 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.516 0.674 . . . . 0.0 110.912 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.99 -67.23 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.9 m170 -58.66 -46.0 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 4.6 t80 -50.38 -57.5 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -73.09 -28.18 62.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 25.2 tt0 -71.57 -29.51 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.67 -56.64 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.0 m-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' CD ' HG21 ' A' ' 37' ' ' VAL . 24.2 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.92 148.58 40.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.2 t -73.95 134.94 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' NE2' ' A' ' 36' ' ' GLN . 30.1 m -89.64 17.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' HB3' ' A' ' 42' ' ' CYS . 13.0 mt-10 -119.54 -51.06 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.74 -13.03 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 54.0 mm-40 68.75 50.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.7 mptm? -125.86 133.56 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 m -43.26 106.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.812 HG21 HG12 ' A' ' 37' ' ' VAL . 79.0 t -74.03 124.22 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -81.96 161.46 60.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.8 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mtt -104.61 -26.0 12.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.2 pt-20 -120.13 23.37 11.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 36.7 ttt180 -85.01 108.16 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 31' ' ' LEU . 6.0 tt -116.06 107.95 15.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.2 126.08 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.36 114.77 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.3 m120 64.53 37.08 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.0 mt-30 62.88 35.99 13.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' NE2' HG11 ' A' ' 19' ' ' VAL . 20.1 mt-30 -147.72 150.46 34.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.812 HG12 HG21 ' A' ' 25' ' ' VAL . 52.4 t -77.52 121.61 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.9 m-85 -129.39 149.46 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.79 122.58 30.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.0 -25.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' HIS . 23.3 t -92.79 -55.02 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HB3' ' CD ' ' A' ' 20' ' ' GLU . 92.9 m -49.63 -41.6 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.34 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -154.87 156.65 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' ASN . 46.9 t -56.68 134.27 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.8 p -72.26 4.23 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -113.24 -66.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ASN . 7.3 p -89.07 -27.56 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 60.2 t30 69.48 48.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -104.18 123.34 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -38.44 130.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 mt -118.57 -177.51 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -148.28 142.07 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.2 mt -42.7 110.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.7 -31.99 5.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.4 p -103.77 -4.44 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 111.138 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.9 p90 -95.52 139.48 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -118.5 99.05 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 2.1 t -83.96 143.3 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.606 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.0 tp -105.92 65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 34.5 p80 48.64 51.38 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.42 -34.3 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 59' ' ' SER . 33.3 mmt180 -104.18 170.12 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 mm -123.69 144.15 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -153.58 151.74 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.516 ' O ' ' C ' ' A' ' 67' ' ' LYS . 31.8 p -89.78 139.17 30.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -27.67 -56.37 0.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.01 -66.17 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.783 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 5.4 m170 -60.66 -43.83 97.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.796 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 55.1 t80 -50.0 -52.81 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.7 t30 -72.68 1.78 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -114.67 -23.48 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' HIS . 13.4 mt -108.67 -26.37 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.796 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.1 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 146.78 51.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.594 ' N ' HG23 ' A' ' 25' ' ' VAL . 45.7 t -73.84 128.42 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.688 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -84.39 15.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -114.34 -53.02 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.92 -16.0 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 71.24 47.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -121.92 135.18 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -42.53 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 30' ' ' ARG . 75.1 t -69.0 132.13 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.97 162.81 53.68 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.669 0.747 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 5.2 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 44.0 mmm -116.38 -30.08 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.752 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.6 mm-40 -96.58 -14.1 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.645 ' HA ' HG11 ' A' ' 25' ' ' VAL . 59.4 ttt-85 -57.48 110.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -118.12 112.96 20.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD23 HH22 ' A' ' 30' ' ' ARG . 0.2 OUTLIER -69.83 117.11 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -141.24 108.66 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 3.4 t-20 66.8 41.02 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.6 mt-30 61.39 36.01 17.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.683 ' NE2' HG11 ' A' ' 19' ' ' VAL . 15.5 mt-30 -149.58 149.84 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 16' ' ' GLU . 94.6 t -75.57 135.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 45.1 m-85 -144.51 152.97 41.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.4 m170 -88.96 125.52 35.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 29' ' ' GLU . 3.1 mp -41.89 -22.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.3 m -96.15 -50.82 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.6 m -55.13 -36.99 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 1.3 t80 -53.32 86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' CYS . 41.7 mtt180 -145.95 149.23 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -56.47 137.3 53.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.513 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.5 p -81.04 25.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.762 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.35 -59.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 1.8 p -93.92 -26.73 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 74.67 51.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 48' ' ' CYS . 62.8 m-80 -121.48 126.92 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -48.12 145.67 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.06 172.61 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -114.41 -179.95 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.59 46.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.66 -30.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.4 p -95.66 -10.89 28.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.28 153.47 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.76 116.65 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.466 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -107.81 146.99 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 42.7 tp -122.36 -67.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -111.7 35.79 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.26 -24.16 31.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -91.05 145.01 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -90.35 149.95 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.4 m-85 -148.54 152.77 37.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.538 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.9 p -86.89 136.68 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -26.72 -56.75 0.2 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.8 Cg_exo -48.03 -67.16 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.292 . . . . 0.0 112.305 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.762 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.4 m170 -59.46 -42.14 91.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 16.5 t80 -53.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 91.1 m-20 -53.74 -31.05 46.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -67.85 -69.22 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.924 0.392 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.74 149.2 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.481 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.3 t -79.98 138.06 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 33.6 m -88.68 13.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.39 -56.45 2.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -99.37 -15.45 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 56.47 47.1 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' THR . 14.7 ttmt -107.23 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.9 m -177.26 121.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.843 HG21 HG12 ' A' ' 37' ' ' VAL . 59.7 t -101.73 118.49 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -83.8 161.84 54.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.672 0.748 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 5.78 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -111.18 -19.17 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 pt-20 -126.91 20.26 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 61.1 ttt-85 -80.16 93.33 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.2 tt -95.07 109.38 21.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.47 126.1 28.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -149.17 118.58 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 73.5 m-20 62.23 38.36 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.4 mt-30 59.87 41.61 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -153.73 155.96 36.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.843 HG12 HG21 ' A' ' 25' ' ' VAL . 57.9 t -78.15 125.36 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.6 m-85 -136.21 146.87 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 3.2 m170 -81.43 135.39 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' GLU . 1.9 mp -52.03 -14.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -104.91 -47.56 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 44' ' ' ARG . 91.9 m -54.97 -36.11 65.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.74 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' CYS . 67.8 mtt180 -141.84 170.6 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -79.26 143.82 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -83.1 23.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.0 t80 -133.98 -58.68 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 p -97.17 -20.16 18.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.61 49.18 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -107.25 125.3 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -44.77 127.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.77 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 8.3 m -150.89 138.21 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -38.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 144.81 -20.05 1.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.551 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -125.82 18.28 7.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -107.45 171.91 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.42 125.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.474 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 52.9 p -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.6 tp -128.94 -68.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.2 m-70 -117.64 33.13 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.82 -26.58 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -89.56 136.06 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mm -82.86 152.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -149.16 151.28 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -84.63 139.76 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' CYS . 2.7 mptm? -31.04 -54.94 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 64.4 Cg_exo -47.92 -65.79 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.704 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 6.0 m170 -59.53 -41.1 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 22.5 t80 -55.68 -66.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -15.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 33.6 tt0 -90.08 -68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.02 -35.52 77.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.823 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 3.9 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 51.0 mt-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.29 149.32 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 41.9 t -75.71 136.21 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.9 m -91.13 18.79 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -121.77 -45.78 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -115.29 -14.41 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 81.7 mm-40 68.78 50.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.9 mptm? -125.44 131.45 52.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -40.1 104.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG21 HG12 ' A' ' 37' ' ' VAL . 81.6 t -74.38 120.29 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -77.27 160.49 75.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 3.54 2.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.344 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtp -107.01 -24.32 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -119.75 20.43 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 22.0 ttt180 -82.01 106.19 13.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.3 tt -112.28 110.64 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.34 125.26 27.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -148.65 113.48 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 64.97 38.08 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HA ' HD11 ' A' ' 32' ' ' LEU . 35.1 mt-30 62.01 37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -148.49 145.64 28.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 25' ' ' VAL . 61.2 t -74.53 121.35 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.5 m-85 -128.95 152.74 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.9 m170 -88.87 123.96 33.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -39.17 -24.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 31.2 t -94.25 -54.98 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 90.1 m -50.14 -37.98 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -46.41 89.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' CYS . 61.8 mtm180 -145.2 172.57 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.56 136.38 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -81.38 21.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -125.76 -46.31 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.95 -16.5 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m120 64.26 54.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.31 146.33 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 133.54 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -129.39 -174.23 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.93 175.2 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.83 83.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.0 -26.35 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.4 t -130.67 25.68 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 111.108 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -110.67 158.66 18.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.48 120.24 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 64' ' ' ILE . 10.2 t -113.05 158.4 20.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 28.7 tp -124.25 -68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -114.35 39.67 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.43 -30.44 10.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -85.45 128.97 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 59' ' ' SER . 12.8 mm -75.8 152.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -146.54 149.11 32.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.4 p -82.39 139.66 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.14 -53.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 66.7 Cg_exo -48.02 -65.23 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.793 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 8.4 m170 -60.68 -41.87 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 28.6 t80 -53.94 -69.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -48.1 -19.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 19.2 tt0 -86.07 -72.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.41 -38.64 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.8 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.99 151.48 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 42.6 t -80.75 127.58 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.8 m -80.9 15.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.68 -55.77 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.82 -10.66 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.1 mm-40 66.93 47.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -120.77 150.18 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.8 m -59.1 101.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG21 HG12 ' A' ' 37' ' ' VAL . 93.6 t -72.32 126.45 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.91 162.42 52.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.3 3.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.45 -28.68 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.9 pt-20 -117.84 22.95 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -84.53 94.21 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -99.98 114.59 27.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -75.43 121.13 21.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.541 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.92 111.3 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 68.59 39.45 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.501 ' HA ' HD11 ' A' ' 32' ' ' LEU . 18.7 mt-30 59.99 37.89 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.565 ' NE2' HG11 ' A' ' 19' ' ' VAL . 30.1 mt-30 -149.83 150.75 32.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.645 HG12 HG21 ' A' ' 25' ' ' VAL . 48.7 t -75.85 119.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 19' ' ' VAL . 37.5 m-85 -128.5 149.5 50.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -85.89 127.46 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.1 mp -42.73 -22.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' HIS . 75.7 m -96.91 -53.06 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 75.6 m -53.21 -33.79 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.3 t80 -54.46 83.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 48.7 mtt-85 -140.78 169.57 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.56 141.12 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 20.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.4 t80 -127.8 -54.85 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.12 -11.24 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 64.78 35.89 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -95.31 143.37 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -67.41 151.72 46.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.28 179.24 6.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.7 m -138.35 149.85 46.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.43 104.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.7 -37.63 1.92 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -98.47 -37.98 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 11.1 p90 -53.89 155.81 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -142.43 109.17 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.8 p -95.25 123.35 38.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' A' ' 74' ' ' PHE . 49.3 tp -108.38 91.44 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.6 m170 72.74 25.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.12 -32.38 6.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -76.6 121.96 23.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.75 138.97 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -144.08 141.29 29.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.1 p -70.3 169.01 14.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 9.1 mmtp -60.0 -52.82 70.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.04 -64.23 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 23.4 m170 -60.03 -51.1 71.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 82.5 t80 -48.38 -20.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.86 -28.05 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' HIS . 27.6 tp60 -90.6 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt -48.25 -27.7 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' A' ' 37' ' ' VAL . 20.9 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.96 145.83 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.533 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.8 t -67.41 127.37 32.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.2 m -84.53 15.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -116.36 -57.02 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.96 -12.32 18.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 66.89 50.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -126.33 134.43 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 m -43.43 108.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.756 HG21 HG12 ' A' ' 37' ' ' VAL . 82.8 t -78.69 122.36 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.91 161.68 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.704 0.764 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.93 4.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 ttm -104.82 -25.2 12.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 40' ' ' ILE . 10.6 pt-20 -120.18 22.75 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -84.03 106.55 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -115.22 105.81 13.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -67.27 128.2 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.11 112.23 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' CG ' ' OG ' ' A' ' 59' ' ' SER . 28.4 t30 64.69 37.84 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' A' ' 32' ' ' LEU . 27.9 mt-30 64.59 36.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -148.16 148.25 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.773 HG21 ' HB3' ' A' ' 16' ' ' GLU . 57.6 t -76.17 120.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.8 m-85 -128.86 150.54 50.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' SER . 6.0 m170 -86.17 124.75 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.2 mp -40.55 -24.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' HIS . 29.1 t -94.06 -54.36 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 90.9 m -50.77 -40.17 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.5 t80 -42.22 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 55.3 mtm180 -153.3 171.41 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.4 t -75.13 142.19 43.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -83.57 26.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -133.49 -52.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -104.6 -24.68 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.39 45.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -100.54 146.04 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 135.9 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -128.55 -179.18 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -150.38 160.11 43.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -55.61 98.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.88 -39.39 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -99.62 8.12 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -112.13 142.3 44.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -124.62 103.7 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 34' ' ' ASN . 79.9 p -88.05 127.88 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.087 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 20.4 tp -123.04 98.04 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 74.66 24.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.84 -23.77 32.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.54 130.1 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.2 mm -84.26 146.11 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -149.91 148.34 29.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -83.53 136.04 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' CYS . 1.9 mptp? -29.98 -54.61 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.8 Cg_exo -47.98 -67.59 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.545 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.3 m170 -59.16 -43.76 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 11.7 t80 -52.16 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -17.0 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -80.3 -57.65 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.087 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.2 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.0 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.95 147.42 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.1 t -67.58 136.45 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.4 m -91.37 14.57 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -117.04 -56.64 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.24 -13.61 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 67.39 50.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.61 132.1 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.8 m -40.7 105.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 18' ' ' CYS . 83.1 t -75.4 126.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -84.56 160.37 56.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.42 2.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -107.27 -22.56 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.9 pt-20 -123.77 21.67 9.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' NH2' HD23 ' A' ' 32' ' ' LEU . 47.3 ttt-85 -83.49 106.33 15.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.9 tt -113.68 112.4 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -76.36 123.51 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -146.21 111.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' ND2' ' OG ' ' A' ' 59' ' ' SER . 21.8 t30 70.13 37.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.7 mt-30 61.64 38.25 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -149.77 150.8 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.625 HG12 HG21 ' A' ' 25' ' ' VAL . 39.4 t -77.57 122.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.1 m-85 -132.19 149.38 52.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.06 124.67 32.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.8 mp -38.95 -25.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -93.89 -54.71 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 86.9 m -49.55 -40.04 36.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.54 87.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' CYS . 62.8 mtt180 -151.91 156.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.73 139.18 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -81.47 17.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.5 t80 -124.57 -58.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.48 -17.92 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.24 42.99 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.759 HD21 HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -99.36 147.94 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -65.3 129.16 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 50' ' ' ASN . 8.6 mt -123.36 178.24 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.3 p -131.84 -175.63 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.67 46.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.79 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -95.21 -12.37 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -74.05 165.76 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.0 112.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.405 ' OG ' ' ND2' ' A' ' 34' ' ' ASN . 65.9 p -101.75 148.07 25.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 41.2 tp -118.44 -68.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.418 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 24.2 m170 -117.38 -23.04 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.82 -30.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -92.25 147.24 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -88.63 155.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -150.33 151.36 32.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.2 p -85.11 138.83 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -30.54 -55.33 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -67.06 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.5 m170 -58.93 -46.86 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.801 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 15.4 t80 -48.44 -64.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -24.4 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 34.1 tt0 -77.4 -66.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.48 -32.36 73.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.801 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.8 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.939 0.4 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 150.77 48.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -73.64 135.2 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -88.99 15.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.31 -55.36 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -102.66 -12.33 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 79.7 mm-40 66.68 52.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 4.3 mptp? -126.57 138.1 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -47.45 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 37' ' ' VAL . 87.6 t -75.31 127.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.83 162.39 52.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ptm -107.58 -25.17 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 7.3 pt-20 -121.66 27.37 8.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HA ' HG11 ' A' ' 25' ' ' VAL . 65.6 ttt-85 -90.18 96.28 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -101.82 114.68 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.14 125.32 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.85 110.25 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.438 ' CG ' ' HB3' ' A' ' 59' ' ' SER . 3.3 m120 62.01 49.19 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 54.34 38.83 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -149.68 148.38 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 25' ' ' VAL . 56.4 t -78.26 121.9 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -128.35 151.13 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.5 m170 -87.2 125.87 34.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 2.8 mp -40.95 -23.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 39' ' ' HIS . 74.0 m -95.93 -54.07 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.9 m -51.06 -37.73 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.0 t80 -45.66 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' CYS . 54.5 mtm180 -146.94 167.63 23.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.87 135.83 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.2 p -78.86 18.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -123.96 -52.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.23 -18.16 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.47 49.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -106.15 148.39 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 137.26 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -134.01 -174.75 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -157.3 -177.52 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.1 mt -77.48 42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 -30.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -125.14 31.43 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -111.99 164.15 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -167.24 121.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 34' ' ' ASN . 9.3 t -114.17 156.54 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 32.0 tp -123.91 -67.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.37 41.09 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.5 -31.03 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -84.41 129.62 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.59 158.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 59.7 m-85 -154.26 152.69 30.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.0 p -86.35 140.34 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.74 -53.67 0.61 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.3 Cg_exo -48.0 -66.01 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.668 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.2 m170 -60.11 -41.9 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.81 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 27.4 t80 -54.26 -69.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -50.3 -19.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 32.0 tt0 -82.77 -70.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.74 -33.91 73.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.81 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 152.2 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 44.9 t -77.51 135.1 38.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.612 HG11 ' OE1' ' A' ' 36' ' ' GLN . 34.8 m -90.56 18.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -121.11 -48.11 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.78 -13.02 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 68.72 51.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -127.61 134.74 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.768 HG21 HG12 ' A' ' 37' ' ' VAL . 93.0 t -71.04 127.38 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -81.86 161.19 61.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.667 0.746 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.57 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.55 -31.59 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.7 pt-20 -113.28 23.16 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HA ' HG11 ' A' ' 25' ' ' VAL . 36.6 ttt180 -83.98 100.58 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.5 tt -106.96 107.65 18.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -70.01 123.41 21.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.67 111.89 5.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 14.8 t-20 65.69 41.01 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.461 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.3 mt-30 59.42 36.34 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' HG11 ' A' ' 19' ' ' VAL . 7.6 mt-30 -147.13 147.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.768 HG12 HG21 ' A' ' 25' ' ' VAL . 44.8 t -75.43 119.76 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 19' ' ' VAL . 36.0 m-85 -128.52 149.13 50.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -86.13 126.44 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.0 mp -41.85 -23.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.3 t -95.8 -53.25 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -52.09 -39.25 59.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -45.81 90.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.4 mtm180 -147.07 176.85 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.83 137.78 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -79.82 15.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -122.75 -54.61 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -104.16 -20.66 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.28 48.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -104.39 140.82 37.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.2 mmtp -53.33 146.69 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 51' ' ' LYS . 20.8 mt -140.98 170.41 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -140.02 158.42 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.15 103.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.11 -36.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 70.7 p -98.63 -43.63 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -46.11 168.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -166.02 113.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 12.9 t -103.19 154.27 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 31.4 tp -123.75 -63.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -118.03 35.63 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.5 -30.05 10.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -87.4 139.9 30.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 8.2 mm -81.31 161.13 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 56.7 m-85 -157.49 140.96 15.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 31.8 p -74.09 144.67 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.641 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 18.0 mmtt -37.69 -51.36 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.5 Cg_exo -47.89 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 11.6 m170 -59.19 -44.37 92.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.811 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 34.0 t80 -52.2 -69.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.51 -16.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 12.4 tt0 -87.76 -69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.78 -39.57 92.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.811 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 5.4 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 37' ' ' VAL . 51.2 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.48 153.43 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 31.3 t -78.92 124.32 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG11 ' OE1' ' A' ' 36' ' ' GLN . 29.4 m -79.5 13.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -114.88 -58.48 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.83 -12.83 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 86.5 mm-40 67.82 50.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.15 133.06 51.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -45.02 104.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.759 HG21 HG12 ' A' ' 37' ' ' VAL . 89.1 t -72.96 129.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.05 162.25 49.99 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.695 0.76 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 53.8 Cg_endo -69.75 4.74 2.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.436 ' CE ' ' HG2' ' A' ' 27' ' ' PRO . 2.2 mpt? -107.3 -33.5 7.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.5 pt-20 -113.03 23.33 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.485 ' HA ' HG11 ' A' ' 25' ' ' VAL . 41.3 ttt180 -85.82 104.94 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 31' ' ' LEU . 6.9 tt -112.87 108.42 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -68.14 126.84 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.652 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -147.05 114.52 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.541 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 53.0 m-20 62.45 41.15 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 32' ' ' LEU . 23.5 mt-30 61.21 38.2 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.718 ' OE1' HG11 ' A' ' 19' ' ' VAL . 13.4 mt-30 -150.16 151.19 32.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.759 HG12 HG21 ' A' ' 25' ' ' VAL . 58.3 t -78.72 120.32 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -127.53 151.47 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -88.33 123.37 32.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.488 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.3 mp -38.5 -25.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -50.69 -39.74 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 1.4 t80 -48.17 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' CYS . 88.5 mtt180 -147.86 161.48 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -66.19 139.13 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -83.95 27.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.1 t80 -131.82 -56.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 p -98.48 -26.36 14.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.9 t30 74.79 40.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.744 HD21 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.43 143.6 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.15 135.02 57.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD21 HD21 ' A' ' 50' ' ' ASN . 14.7 mt -126.95 175.07 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -145.74 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -49.18 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.85 -34.32 2.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.3 p -96.92 -31.39 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 111.114 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 10.8 p90 -61.79 165.37 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.22 111.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.541 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 39.9 t -96.3 163.4 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 22.4 tp -127.98 -74.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 86.9 m-70 -114.27 -40.18 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.33 30.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -152.4 132.18 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.55 151.05 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -147.92 151.27 35.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 24.3 p -86.36 147.08 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 30.4 mmtt -41.81 -48.51 10.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.1 Cg_exo -47.97 -61.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.737 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.4 m170 -68.25 -48.64 64.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.747 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 30.9 t80 -44.22 -59.05 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -51.84 -20.72 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -93.46 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.87 -30.06 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.747 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 66.2 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 146.86 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -70.1 128.37 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -83.27 14.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 42' ' ' CYS . 14.7 mt-10 -117.32 -63.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -94.66 -20.93 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm100 74.5 52.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -127.09 130.78 50.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.2 m -39.14 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 96.2 t -75.43 123.34 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.44 162.43 58.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.24 2.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -105.6 -27.54 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.498 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.7 pt-20 -118.46 23.43 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 28.5 ttt180 -85.63 103.54 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -110.73 114.28 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -74.05 129.29 37.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -151.27 115.54 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.557 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 71.1 m-20 62.17 39.51 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 32' ' ' LEU . 24.5 mt-30 61.02 40.74 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -151.6 155.72 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 41.6 t -81.89 123.25 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.2 m-85 -131.95 150.81 52.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.7 m170 -87.31 124.09 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.6 mp -38.79 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 t -93.65 -53.93 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -51.81 -33.17 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.78 86.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.54 HH11 ' ND2' ' A' ' 49' ' ' ASN . 69.6 mtt180 -139.45 168.35 20.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.9 139.41 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -81.02 23.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -131.4 -60.75 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p -96.41 -25.17 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.54 ' ND2' HH11 ' A' ' 44' ' ' ARG . 4.8 t30 72.53 54.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.491 ' ND2' ' SG ' ' A' ' 48' ' ' CYS . 83.4 m-20 -115.56 124.99 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' CE ' ' HA ' ' A' ' 41' ' ' SER . 22.2 tttt -45.5 134.07 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.17 -177.15 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LEU . 16.8 m -153.15 140.07 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 32' ' ' LEU . 54.0 mt -37.51 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 138.54 -29.28 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -115.71 15.65 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -108.99 162.54 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.01 118.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.557 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 22.7 t -108.12 162.21 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 47.7 tp -133.71 -75.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.401 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 23.7 m170 -104.19 55.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.72 29.34 67.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -142.37 127.13 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.51 142.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -142.16 146.16 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.406 ' HB2' ' HD2' ' A' ' 68' ' ' PRO . 31.3 p -79.15 147.58 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.8 mptp? -39.88 -52.23 5.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 65.5 Cg_exo -48.01 -66.28 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.779 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.4 m170 -59.71 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 24.9 t80 -49.6 -53.64 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.9 t30 -65.22 -2.99 3.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 10.7 tp60 -105.41 -57.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' OE2' ' CG2' ' A' ' 37' ' ' VAL . 27.2 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.14 149.2 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -74.62 128.45 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -83.03 16.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 5.5 mm-40 -118.76 -56.39 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.18 -13.7 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 40.8 mm-40 68.29 51.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 11.9 mptt -126.18 132.3 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -42.65 103.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG12 ' A' ' 37' ' ' VAL . 98.1 t -72.91 126.67 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.8 161.58 57.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.715 0.769 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.74 -27.69 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HA ' HD13 ' A' ' 40' ' ' ILE . 17.2 pt-20 -118.26 26.16 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.65 ' NH2' HD23 ' A' ' 32' ' ' LEU . 39.1 ttt-85 -87.48 104.44 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.8 tt -112.54 111.25 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.65 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -71.07 128.82 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.62 112.91 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 61.93 41.38 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.9 mt-30 61.09 42.02 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' NE2' HG11 ' A' ' 19' ' ' VAL . 33.8 mt-30 -153.42 148.28 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG12 HG21 ' A' ' 25' ' ' VAL . 58.6 t -78.33 117.72 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.4 m-85 -124.08 150.85 44.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.6 m170 -86.53 123.67 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.66 -24.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' HIS . 32.7 t -93.8 -53.86 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 91.8 m -50.82 -40.7 56.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 2.0 t80 -46.69 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -151.27 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.87 140.63 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.84 28.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.1 t80 -134.84 -51.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -110.03 -16.32 13.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.26 50.29 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 138.29 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -131.01 -177.02 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m -148.71 159.03 44.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.44 103.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.43 -39.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -96.52 -27.04 15.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 4.0 p90 -68.07 141.82 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -129.0 97.37 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.459 ' OG ' HD13 ' A' ' 64' ' ' ILE . 34.3 m -91.04 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.799 HD13 ' HE2' ' A' ' 74' ' ' PHE . 7.3 tp -113.41 122.89 48.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 92.0 m-70 64.88 25.36 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.48 10.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -79.78 135.9 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 3.9 mm -84.12 157.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ILE . 64.6 m-85 -160.98 159.62 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.68 165.12 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.591 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 8.8 mmtt -55.37 -51.37 80.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.8 Cg_exo -47.92 -64.7 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 27.5 m170 -63.12 -48.72 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.775 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 72.8 t80 -50.57 -15.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -101.33 -21.3 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -89.63 -37.36 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.14 -37.3 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' A' ' 60' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -126.3 106.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -142.37 174.52 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.91 51.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -133.13 148.78 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -169.91 116.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.11 160.77 11.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.6 mtp -83.36 98.43 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -173.49 166.99 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' GLN . 24.4 t80 71.96 48.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' PHE . 43.7 mm-40 -34.71 116.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.8 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -35.22 -61.06 0.52 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.5 Cg_endo -69.73 -163.01 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.77 47.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.61 ' HG3' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -164.09 179.79 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.8 mm-40 -96.38 165.76 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 147.54 40.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.7 t -67.89 130.4 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.728 HG11 ' NE2' ' A' ' 36' ' ' GLN . 23.5 m -85.25 15.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -116.79 -57.66 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.1 p -100.25 -13.29 18.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 68.81 46.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -120.8 155.13 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.61 HG23 ' HG3' ' A' ' 15' ' ' ARG . 17.0 m -61.8 108.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 91.0 t -79.83 121.39 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -81.47 162.58 57.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptm -105.79 -27.66 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.3 pt-20 -117.39 19.9 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 -82.13 105.97 13.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.1 tt -113.64 107.7 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -69.11 127.38 32.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.07 113.48 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.1 t30 64.17 40.0 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.3 mt-30 62.53 33.4 16.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.728 ' NE2' HG11 ' A' ' 19' ' ' VAL . 30.5 mt-30 -146.16 145.55 30.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 91.8 t -75.47 121.74 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.0 m-85 -128.08 152.15 48.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.73 123.0 31.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.85 -25.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 28.0 t -93.4 -54.75 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -50.55 -39.67 49.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.07 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' CYS . 50.3 mtm180 -147.84 177.34 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.7 t -84.72 135.8 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.9 m -79.28 16.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.655 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -120.31 -52.58 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -104.47 -23.79 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.5 t30 69.73 53.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -112.13 154.36 25.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.84 132.24 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -130.46 173.62 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -129.71 -176.46 3.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 32' ' ' LEU . 36.4 mt -77.57 46.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -163.88 -32.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -95.66 -15.96 22.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 0.0 111.156 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.28 176.41 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.02 107.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -101.48 145.49 28.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 46.8 tp -118.89 -73.53 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -109.66 34.78 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.76 -30.06 9.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.9 mmt-85 -85.25 142.9 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 9.1 mm -87.79 155.57 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 74.4 m-85 -156.96 148.66 22.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.9 p -83.96 138.9 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.8 mptp? -29.41 -55.08 0.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.556 0.693 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.5 Cg_exo -47.9 -66.18 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 17.8 m170 -62.24 -49.2 76.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.749 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 1.4 t80 -45.85 -50.97 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.33 -38.77 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 19.5 tt0 -58.65 -23.22 58.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mt -108.78 -49.87 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.749 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 2.8 m-30 -62.99 -76.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -39.96 152.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.7 p -174.74 -176.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 -175.81 4.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.53 114.99 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -175.0 111.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -154.42 157.78 39.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -112.25 171.75 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -94.46 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.3 -62.72 1.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -41.03 147.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.81 148.8 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.9 t -134.43 154.49 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.35 151.4 22.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 166.2 28.46 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -163.99 131.51 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.5 p -54.76 131.59 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.469 -179.991 . . . . . . . . 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 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -125.97 117.97 24.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 t -135.55 134.95 39.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.21 109.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -160.33 116.4 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 m -159.04 160.3 35.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.91 160.25 48.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.2 mtp -98.2 85.9 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -125.32 101.17 6.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -159.12 164.7 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -47.63 132.73 13.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.732 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -64.09 -58.66 13.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.83 174.49 9.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.75 101.66 2.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.781 ' HD2' HG23 ' A' ' 24' ' ' THR . 9.3 ptt-85 -76.26 173.95 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HB3' HG21 ' A' ' 37' ' ' VAL . 12.1 mp0 -99.97 147.44 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.76 150.17 51.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 25' ' ' VAL . 51.6 t -79.59 132.23 36.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.2 m -87.55 19.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.06 -48.74 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.49 -13.98 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 35.7 mm-40 68.89 50.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 13.7 mptt -125.94 132.79 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.781 HG23 ' HD2' ' A' ' 15' ' ' ARG . 22.7 m -41.19 107.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG21 HG12 ' A' ' 37' ' ' VAL . 74.5 t -78.22 123.06 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.57 161.9 67.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.733 0.778 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 3.39 2.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mtt -107.04 -27.73 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.3 pt-20 -117.35 21.58 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HA ' HG11 ' A' ' 25' ' ' VAL . 58.8 ttt180 -85.53 90.47 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -96.32 111.53 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.91 129.49 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -152.31 115.79 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 78.6 m-20 62.47 39.2 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 60.3 38.92 19.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -149.82 149.8 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.684 HG12 HG21 ' A' ' 25' ' ' VAL . 45.2 t -76.32 119.65 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.7 m-85 -128.06 150.0 50.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.94 127.02 35.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -42.15 -23.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.47 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 71.7 m -95.2 -55.23 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 92.5 m -49.8 -37.39 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.6 93.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' ' O ' ' A' ' 41' ' ' SER . 54.8 mtm-85 -153.97 167.36 30.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.88 142.51 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 2.5 t -82.93 22.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.607 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.13 -56.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -98.49 -26.22 14.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 t30 69.97 41.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -102.19 122.13 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -41.14 131.03 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -114.95 -178.36 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -141.47 146.38 36.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.3 mt -45.45 109.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.43 -43.98 1.33 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.4 ' HA ' ' CE ' ' A' ' 67' ' ' LYS . 62.8 p -82.99 -41.22 18.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' HB2' ' CG2' ' A' ' 64' ' ' ILE . 24.8 p90 -48.06 176.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -169.91 106.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.46 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 24.7 p -93.28 168.9 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 tp -128.66 -68.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.497 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 60.9 m170 -117.11 -28.67 6.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.05 -32.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.02 160.45 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 11.8 mm -98.89 150.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.6 m-85 -144.43 145.78 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.504 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 29.0 p -78.17 134.41 37.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 12.9 mttt -31.53 -53.07 0.48 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.5 Cg_exo -47.95 -62.91 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.308 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.607 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.3 m170 -62.47 -44.06 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.741 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.9 t80 -50.13 -56.26 11.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.6 t30 -70.11 2.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -106.79 -34.16 7.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -101.93 -26.82 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.741 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 -81.95 -56.46 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -58.1 -45.53 87.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 15.5 t -47.32 99.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.4 mppt? -35.8 118.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.41 56.12 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -111.96 129.41 56.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -137.26 177.37 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -40.98 129.71 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 84' ' ' PHE . 10.9 pt-20 -119.46 42.77 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.2 53.19 1.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 82' ' ' GLU . 9.8 m-85 -73.84 -44.14 56.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.01 -94.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m 45.77 44.14 10.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.69 145.9 47.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 89' ' ' SER . 53.9 Cg_endo -69.77 2.48 3.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 88' ' ' PRO . 32.4 t -34.58 99.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 m -141.92 175.87 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.502 -179.999 . . . . . . . . 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 -0.304 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -143.17 170.66 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -93.41 151.75 19.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.28 136.62 11.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -113.3 40.69 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -151.64 129.78 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.87 126.28 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 mmt -54.6 112.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -80.14 122.36 26.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -131.84 -58.87 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -89.04 134.05 34.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.861 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -76.22 -64.0 0.55 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.77 -52.83 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.17 171.11 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -136.86 171.71 14.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.717 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.7 mm-40 -92.46 171.67 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.77 145.06 21.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.157 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -65.0 133.02 50.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.621 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.1 m -87.49 15.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -119.05 -62.51 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 p -94.78 -8.74 36.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 61.96 54.85 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -126.67 152.83 46.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 m -59.96 102.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -74.55 123.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -82.66 162.43 55.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.681 0.753 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.311 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.1 ptm -105.87 -26.5 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -120.67 25.33 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' NH2' HD23 ' A' ' 32' ' ' LEU . 51.0 ttt-85 -88.37 101.33 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -106.87 111.88 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.78 128.69 36.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.684 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.34 112.72 4.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.052 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.4 m120 61.08 44.57 10.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 57.92 38.29 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -147.93 151.15 35.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 16' ' ' GLU . 70.0 t -80.02 119.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.684 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.8 m-85 -127.9 151.08 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.1 m170 -87.6 128.91 35.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.3 mp -45.3 -20.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' HIS . 73.4 m -97.81 -52.09 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.2 m -52.81 -39.16 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.31 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' CYS . 91.0 mtt180 -145.8 166.58 25.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.73 142.85 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t -83.18 27.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.92 -59.09 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.47 -25.69 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 72.26 53.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -114.81 126.77 55.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -45.8 135.94 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.54 -174.5 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.4 m -150.44 151.99 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.3 mt -48.84 101.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.11 -41.94 1.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 10.0 t -95.81 -35.61 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -53.97 157.91 2.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.577 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -153.59 113.72 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.447 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 2.7 t -104.68 140.21 38.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.8 tp -115.59 -71.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -107.43 39.25 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.48 -25.89 26.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 12.9 mtm105 -88.8 147.29 24.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mm -89.73 156.07 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 59.3 m-85 -154.61 145.5 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.482 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . 25.0 p -77.9 150.63 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.595 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 37.1 mmtt -44.76 -47.82 28.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.3 Cg_exo -48.04 -67.15 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.652 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 19.0 m170 -62.63 -47.42 83.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.781 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 16.2 t80 -48.05 -55.59 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -71.86 2.18 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -106.49 -30.99 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -104.03 -30.01 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 -80.21 -54.14 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -39.09 84.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -76.64 104.32 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.9 173.38 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.9 -73.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -78.61 153.94 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -123.98 152.22 42.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -141.8 162.1 36.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -103.36 33.19 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.32 -77.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' GLY . 29.7 m-85 -53.82 -50.13 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 84' ' ' PHE . . . -36.14 135.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -154.62 159.26 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -43.73 166.05 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.8 m -85.99 106.18 16.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 165.04 14.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.528 -179.975 . . . . . . . . 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 -0.33 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -164.97 132.88 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -107.27 82.49 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.09 56.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -114.39 90.84 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -159.94 167.82 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.25 41.32 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.405 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 18.7 ptt? -108.58 -42.6 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 8' ' ' MET . 17.8 mmmt -103.95 83.31 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.74 -46.34 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 HE22 ' CZ ' ' A' ' 15' ' ' ARG . 37.5 mt-30 -56.61 116.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -58.38 -59.97 11.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.76 117.91 5.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -35.18 129.19 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.584 ' CZ ' HG21 ' A' ' 24' ' ' THR . 15.4 ttm180 -95.27 132.85 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -87.99 153.43 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -143.85 155.96 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 25' ' ' VAL . 32.4 t -80.62 125.45 30.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' OE1' ' A' ' 36' ' ' GLN . 27.6 m -79.39 13.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG3' ' CD1' ' A' ' 38' ' ' PHE . 10.4 mt-10 -115.76 -54.1 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.49 -7.25 17.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mp0 62.85 48.19 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -123.11 131.42 53.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.584 HG21 ' CZ ' ' A' ' 15' ' ' ARG . 8.8 m -42.74 105.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.779 HG21 HG12 ' A' ' 37' ' ' VAL . 93.7 t -74.12 125.14 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.99 163.33 53.77 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.683 0.754 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 mmt -99.94 -31.19 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 14.6 pt-20 -115.85 30.19 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.682 ' NH2' HD23 ' A' ' 32' ' ' LEU . 49.1 ttt-85 -91.34 105.4 17.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -111.85 111.58 22.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.682 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -72.94 124.34 25.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.91 110.15 5.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 2.5 m-20 62.83 40.78 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.527 ' HA ' HD11 ' A' ' 32' ' ' LEU . 20.4 mt-30 62.25 42.01 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' OE1' HG11 ' A' ' 19' ' ' VAL . 6.3 mt-30 -151.53 145.19 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.779 HG12 HG21 ' A' ' 25' ' ' VAL . 49.0 t -76.89 117.81 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.3 m-85 -125.84 151.42 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.5 m170 -86.92 122.95 31.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.7 mp -38.76 -25.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' HIS . 33.8 t -93.24 -54.24 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.4 m -50.88 -40.09 55.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -43.86 90.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.7 mtt-85 -141.6 173.51 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.6 t -84.09 138.37 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 p -81.16 27.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.796 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.8 t80 -134.76 -53.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 p -103.45 -29.81 10.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.99 54.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 9.6 m-20 -115.32 118.42 33.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -36.92 126.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 19.0 mt -114.26 -174.7 2.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -143.11 174.49 10.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD21 ' O ' ' A' ' 32' ' ' LEU . 93.5 mt -75.53 48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.86 -30.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.2 p -108.05 11.74 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -96.34 172.24 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -172.52 109.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.47 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -105.61 149.68 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 34.8 tp -115.08 -69.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.8 m-70 -115.18 47.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.28 -32.57 6.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -82.31 135.04 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.331 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 59' ' ' SER . 9.8 mm -81.84 150.31 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.2 m-85 -148.33 150.33 33.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 27.2 p -80.64 168.15 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 68' ' ' PRO . 1.7 mptp? -58.05 -54.96 50.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.571 0.7 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -59.42 1.25 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.796 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.0 m170 -64.39 -49.9 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.782 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 19.6 t80 -49.82 -50.78 43.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.12 -4.06 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 2.6 tp60 -106.43 -55.82 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -69.49 -26.56 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.782 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 -91.36 -62.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 76' ' ' SER . 11.5 tttp -48.3 -30.41 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 75' ' ' LYS . 8.4 t -33.77 107.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.1 mmmm -34.77 136.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.43 -75.83 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.534 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 28.6 t-20 -174.74 111.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 44.8 m-85 -167.16 167.22 14.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -120.19 131.86 55.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -130.36 38.74 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.73 -64.72 1.84 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -67.66 176.89 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.22 -63.75 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.0 t -120.2 155.5 33.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.67 120.28 1.07 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -176.21 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -161.37 154.9 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -165.83 128.74 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.473 -179.972 . . . . . . . . 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 -0.336 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -155.15 135.89 13.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -159.08 148.5 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.66 58.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -97.77 96.01 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 p -151.83 142.48 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.48 163.17 32.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 ttt -141.22 157.07 45.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -106.96 -58.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 11' ' ' GLN . 91.0 m-85 -56.86 161.43 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' PHE . 9.1 mm100 -34.4 113.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -35.38 -61.21 0.53 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.3 Cg_endo -69.74 147.41 62.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.45 140.51 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -89.72 169.6 11.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' OE1' HG11 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -90.41 173.61 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.76 143.11 18.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' HG23 ' A' ' 25' ' ' VAL . 30.6 t -69.64 127.26 32.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.678 HG11 ' NE2' ' A' ' 36' ' ' GLN . 29.6 m -83.49 15.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -117.11 -55.42 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -104.16 -13.37 16.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.443 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 19.9 mm-40 66.78 50.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -126.05 131.95 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.9 m -39.71 107.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.758 HG21 HG12 ' A' ' 37' ' ' VAL . 75.0 t -78.09 120.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -76.29 159.37 80.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.686 0.755 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 ttt -109.41 -20.41 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.8 pt-20 -123.53 26.36 7.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.616 ' NH2' HD23 ' A' ' 32' ' ' LEU . 40.3 ttt-85 -89.91 108.96 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 31' ' ' LEU . 6.8 tt -116.03 108.83 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -65.75 123.21 19.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.725 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -144.19 110.21 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.3 t30 64.84 39.98 5.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.499 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.9 mt-30 63.07 35.87 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.678 ' NE2' HG11 ' A' ' 19' ' ' VAL . 32.5 mt-30 -147.97 151.9 36.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.758 HG12 HG21 ' A' ' 25' ' ' VAL . 87.8 t -79.56 119.46 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.725 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 29.0 m-85 -125.86 149.88 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -84.94 123.32 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.9 mp -40.0 -24.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.8 t -93.53 -53.42 4.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 93.5 m -51.34 -42.03 61.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -43.19 90.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 52.4 mtm180 -140.6 172.1 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.4 t -81.79 142.4 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -82.17 26.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -134.99 -54.63 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.2 -26.11 13.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 t30 74.73 40.63 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -101.15 126.23 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -47.7 132.78 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -123.45 -174.02 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.45 164.4 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.4 mt -47.7 111.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.67 -36.13 4.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CD ' ' A' ' 67' ' ' LYS . 50.1 p -92.18 -27.59 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -75.5 174.78 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -171.8 109.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.4 t -99.43 156.42 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 45.5 tp -129.05 -67.72 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -112.59 32.86 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.25 -26.69 16.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -89.55 146.03 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -89.17 155.07 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -154.24 150.41 28.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.0 p -83.45 136.29 34.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.4 mptp? -29.24 -55.34 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.536 0.684 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.7 Cg_exo -48.01 -66.43 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.635 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.3 m170 -59.03 -41.71 88.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.771 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 17.8 t80 -52.03 -66.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -53.3 -26.62 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 35.7 tt0 -72.9 -68.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.38 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.771 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.1 m-85 -83.7 -63.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' GLN . 33.3 tttt -84.23 175.06 9.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 36.5 p -159.54 148.15 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -36.22 144.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.34 84.8 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.03 122.57 43.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -113.63 133.36 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -46.18 99.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.78 41.67 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.06 -40.65 2.57 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -95.94 95.59 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.392 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -38.76 108.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.1 p -145.93 116.16 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.81 143.51 3.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.31 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.5 t -117.37 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' SER . 28.2 m -36.03 119.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.478 179.998 . . . . . . . . 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 1.451 -0.318 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -143.38 129.97 20.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -142.73 154.7 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.21 -169.84 39.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -131.79 114.85 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -138.08 169.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.01 114.13 3.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtt -133.22 145.5 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -81.39 122.58 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -108.93 135.86 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -57.93 160.5 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -67.42 -59.76 6.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.74 174.59 9.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 87.35 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -87.97 146.72 25.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 37' ' ' VAL . 1.3 mm-40 -92.96 178.95 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 149.09 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.606 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.9 t -66.54 130.05 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.1 m -85.06 16.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -118.43 -60.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -99.79 -0.48 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 55.3 49.05 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -123.02 136.12 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -47.62 105.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG21 HG12 ' A' ' 37' ' ' VAL . 82.4 t -73.21 128.4 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.11 159.46 59.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.661 0.743 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 4.62 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.366 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.2 ptm -107.64 -23.39 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.7 pt-20 -123.0 23.9 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -84.34 100.38 11.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -106.14 109.16 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.21 123.87 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.47 112.33 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 15.0 t-20 67.09 39.83 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HA ' HD11 ' A' ' 32' ' ' LEU . 29.7 mt-30 60.56 34.57 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.544 ' OE1' HG11 ' A' ' 19' ' ' VAL . 8.0 mt-30 -145.68 149.91 35.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 25' ' ' VAL . 98.7 t -78.18 119.51 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.1 m-85 -127.49 157.16 40.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.7 m170 -91.71 127.43 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.422 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 2.4 mp -43.6 -21.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.7 m -97.03 -54.14 3.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -51.42 -39.26 56.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.9 t80 -47.77 95.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 45.5 mtm180 -151.74 168.8 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.2 t -74.02 141.59 45.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -82.07 23.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.68 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.23 -58.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -95.65 -29.37 14.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.3 t30 74.98 50.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -109.08 140.2 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 40' ' ' ILE . 1.8 mtpm? -55.74 131.03 45.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.8 179.29 4.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' GLY . 71.6 m -147.5 159.51 43.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.84 83.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 156.92 -31.8 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.1 t -114.5 15.93 17.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -110.25 139.12 45.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.26 103.57 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.58 ' OG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -86.32 149.67 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.883 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 44.9 tp -134.75 89.35 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 4.8 m170 75.01 25.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.67 -26.91 11.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.8 mmt-85 -84.63 123.93 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.58 HD13 ' OG ' ' A' ' 59' ' ' SER . 7.9 mm -81.77 140.29 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -143.68 147.67 34.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.5 p -82.08 137.11 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -30.5 -54.46 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 65.0 Cg_exo -47.99 -66.61 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.2 m170 -59.86 -42.44 93.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.805 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 27.2 t80 -55.3 -68.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -52.06 -17.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 13.8 tt0 -84.57 -70.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.09 -28.93 69.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.883 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -82.98 -64.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -90.42 138.95 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.3 t -173.85 164.92 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -109.91 50.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.28 174.57 19.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -104.9 145.43 30.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -139.26 156.3 47.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -141.66 148.04 38.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.57 40.14 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.58 -49.05 6.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -46.5 119.67 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.68 144.28 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.3 t -95.8 -41.66 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.75 75.85 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.77 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 t -57.62 105.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 m -135.17 172.24 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.534 179.966 . . . . . . . . 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 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 m -49.69 -60.74 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -58.32 113.86 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.1 125.57 1.02 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -133.75 145.6 49.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 p -125.35 129.82 50.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.17 -152.84 10.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.41 89.27 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -89.18 -56.84 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 11' ' ' GLN . 15.2 m-85 -54.32 174.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' PHE . 2.7 tp-100 -35.51 117.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.885 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -43.51 -66.14 0.49 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.705 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.885 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.3 Cg_endo -69.77 160.85 48.18 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.97 142.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -125.41 177.62 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 37' ' ' VAL . 4.7 mm-40 -103.12 161.7 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.85 145.98 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.6 t -62.52 138.61 58.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 38' ' ' PHE . 29.1 m -94.2 17.06 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -120.51 -52.95 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.21 -14.66 15.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 67.92 52.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -126.88 132.81 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.7 m -41.29 104.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG21 HG12 ' A' ' 37' ' ' VAL . 76.9 t -76.42 123.56 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -80.52 161.59 63.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 2.61 3.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 50.5 mtt -106.09 -23.55 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.8 pt-20 -122.12 26.46 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -88.7 98.96 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.5 tt -106.13 109.57 21.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -70.98 126.52 29.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.4 113.18 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 67.4 39.57 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HA ' HD11 ' A' ' 32' ' ' LEU . 31.5 mt-30 61.98 36.17 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' OE1' HG11 ' A' ' 19' ' ' VAL . 11.5 mt-30 -148.88 155.69 41.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG12 HG21 ' A' ' 25' ' ' VAL . 89.0 t -81.96 120.05 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 35.5 m-85 -126.89 150.43 49.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.4 m170 -85.62 127.31 34.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.6 mp -43.53 -21.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.1 m -96.53 -53.59 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' ARG . 94.5 m -50.9 -39.99 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.99 93.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.1 mtt180 -155.73 146.45 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.0 t -50.83 137.01 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.496 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 5.5 p -81.75 21.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.7 t80 -125.15 -55.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.11 -20.21 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 67.39 48.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -108.92 141.16 41.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -56.61 134.98 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -126.92 174.1 9.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.3 p -126.81 -178.78 4.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 32' ' ' LEU . 82.4 mt -79.9 42.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.65 -33.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 t -98.57 -17.27 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -67.95 150.27 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -148.68 110.76 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.9 p -99.22 149.49 23.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 39.5 tp -128.12 -73.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.03 39.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.28 -27.16 21.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -88.18 152.47 21.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 4.3 mm -94.44 156.49 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 66.3 m-85 -155.26 145.37 21.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 27.7 p -78.36 148.42 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.589 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 26.4 mmtt -41.54 -49.14 9.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.95 -66.52 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.3 m170 -62.6 -45.62 92.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 32.8 t80 -47.87 -61.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 89.9 m-20 -54.93 -15.46 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 38.7 tt0 -92.12 -67.79 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 mt -58.22 -29.03 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.77 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.2 m-85 -88.18 -69.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -71.83 168.21 18.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -162.43 170.3 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -54.23 -44.82 72.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.29 84.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -155.98 115.87 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.73 139.78 37.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' GLU . 7.2 m-20 -118.42 172.38 7.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' ASP . 16.1 mt-10 33.95 42.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.94 55.89 3.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 51.7 t80 -127.62 83.31 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.94 158.68 53.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 t -154.28 157.74 39.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.92 0.391 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.69 155.06 52.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.24 31.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.345 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -125.5 150.89 46.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 t -165.27 176.97 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.524 -179.981 . . . . . . . . 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 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -121.47 90.64 3.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.939 0.399 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -151.09 155.88 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.77 132.84 11.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -124.29 137.36 54.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -158.06 153.28 25.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.4 59.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -174.94 116.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -55.15 138.24 45.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -53.84 101.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -81.88 -58.28 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -175.06 163.09 2.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.657 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 54.0 Cg_endo -69.75 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.55 104.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.857 ' HD2' HG23 ' A' ' 24' ' ' THR . 9.3 ptt180 -46.31 171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -108.33 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 150.66 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.3 t -68.75 135.13 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.62 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.7 m -88.16 17.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -120.63 -48.55 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' LYS . 14.7 p -111.12 -14.44 13.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' C ' ' HE3' ' A' ' 23' ' ' LYS . 55.5 mm-40 69.43 37.87 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HE3' ' C ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -110.77 136.28 50.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.857 HG23 ' HD2' ' A' ' 15' ' ' ARG . 8.1 m -44.94 103.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 HG12 ' A' ' 37' ' ' VAL . 77.4 t -74.17 126.64 35.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -82.83 160.7 60.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.722 0.772 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 mtt -107.02 -24.34 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HA ' HD13 ' A' ' 40' ' ' ILE . 11.6 pt-20 -122.25 27.83 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.4 ttt-85 -90.07 94.47 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.4 tt -99.22 111.28 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -73.41 126.74 30.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -146.17 110.45 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' ND2' ' OH ' ' A' ' 57' ' ' TYR . 1.6 m-80 62.96 49.7 3.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 53.94 41.07 32.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.535 ' NE2' HG11 ' A' ' 19' ' ' VAL . 17.8 mt-30 -151.3 148.43 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 HG21 ' A' ' 25' ' ' VAL . 96.0 t -80.1 121.22 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 33.8 m-85 -129.14 150.24 50.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m170 -85.61 128.8 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.5 mp -45.1 -20.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' HIS . 71.7 m -98.68 -51.71 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 95.6 m -52.52 -38.06 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.6 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' CYS . 79.8 mtt180 -146.9 170.86 16.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.1 t -79.65 136.65 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t -75.65 11.21 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.7 t80 -118.61 -65.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.9 p -88.25 -21.33 24.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 64.71 47.32 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -105.58 150.9 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 130.44 46.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -126.66 -178.95 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' GLY . 57.8 m -162.89 158.04 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 32' ' ' LEU . 38.5 mt -48.79 90.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 150.15 -31.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 t -119.58 17.9 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' OH ' ' ND2' ' A' ' 34' ' ' ASN . 2.6 p90 -112.38 172.26 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -170.47 118.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 157.82 17.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 55.2 tp -128.48 -65.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 98.0 m-70 -113.78 38.45 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.66 -30.3 10.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -83.06 158.35 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.24 150.44 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -151.0 141.35 22.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.4 p -73.12 140.48 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -32.87 -54.1 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.516 0.674 . . . . 0.0 110.912 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.9 Cg_exo -47.99 -67.23 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.9 m170 -58.66 -46.0 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 4.6 t80 -50.38 -57.5 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 74.3 m-80 -73.09 -28.18 62.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' HIS . 25.2 tt0 -71.57 -29.51 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mt -100.67 -56.64 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.0 m-30 -55.58 -59.98 4.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 22.9 tptt -53.6 -35.55 61.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' LYS . 6.5 t -34.48 120.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -40.47 144.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.18 59.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.527 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -134.86 6.14 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.952 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -49.12 142.36 7.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -162.66 167.7 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 1.4 tp10 -96.9 -7.58 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.99 44.72 32.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -78.59 117.73 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.66 116.77 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 t -91.56 151.51 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.66 147.33 17.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.09 49.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -124.72 149.37 47.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -73.45 170.83 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.488 -179.972 . . . . . . . . 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 1.452 -0.277 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m -162.82 158.55 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -151.54 144.79 24.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.35 163.08 22.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -156.64 148.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -124.86 158.54 33.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.14 51.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.3 mtm -76.9 130.57 37.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -132.78 136.82 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.08 163.95 32.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -51.14 131.24 27.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -41.28 -64.61 0.59 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.71 177.89 5.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.397 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.34 112.67 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' CZ ' HG21 ' A' ' 24' ' ' THR . 15.7 ttm180 -108.9 139.48 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' CD ' HG21 ' A' ' 37' ' ' VAL . 24.2 mt-10 -99.68 158.02 16.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.92 148.58 40.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' N ' HG23 ' A' ' 25' ' ' VAL . 43.2 t -73.95 134.94 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.578 HG11 ' NE2' ' A' ' 36' ' ' GLN . 30.1 m -89.64 17.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' HB3' ' A' ' 42' ' ' CYS . 13.0 mt-10 -119.54 -51.06 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.74 -13.03 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 54.0 mm-40 68.75 50.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.7 mptm? -125.86 133.56 51.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 15' ' ' ARG . 21.5 m -43.26 106.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.812 HG21 HG12 ' A' ' 37' ' ' VAL . 79.0 t -74.03 124.22 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -81.96 161.46 60.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.628 0.728 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.8 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.264 . . . . 0.0 112.304 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.0 mtt -104.61 -26.0 12.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.2 pt-20 -120.13 23.37 11.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 16' ' ' GLU . 36.7 ttt180 -85.01 108.16 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 31' ' ' LEU . 6.0 tt -116.06 107.95 15.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.2 126.08 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.501 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.36 114.77 5.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.3 m120 64.53 37.08 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.0 mt-30 62.88 35.99 13.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' NE2' HG11 ' A' ' 19' ' ' VAL . 20.1 mt-30 -147.72 150.46 34.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.812 HG12 HG21 ' A' ' 25' ' ' VAL . 52.4 t -77.52 121.61 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' HG23 ' A' ' 19' ' ' VAL . 34.9 m-85 -129.39 149.46 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.8 m170 -86.79 122.58 30.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.0 -25.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' HIS . 23.3 t -92.79 -55.02 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HB3' ' CD ' ' A' ' 20' ' ' GLU . 92.9 m -49.63 -41.6 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -49.34 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -154.87 156.65 36.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' ASN . 46.9 t -56.68 134.27 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.8 p -72.26 4.23 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -113.24 -66.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ASN . 7.3 p -89.07 -27.56 20.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 45' ' ' CYS . 60.2 t30 69.48 48.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -104.18 123.34 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -38.44 130.64 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.4 mt -118.57 -177.51 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -148.28 142.07 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 53.2 mt -42.7 110.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.7 -31.99 5.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.4 p -103.77 -4.44 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 111.138 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 57' ' ' TYR . 1.9 p90 -95.52 139.48 31.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -118.5 99.05 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ARG . 2.1 t -83.96 143.3 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.606 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 9.0 tp -105.92 65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' CG ' ' O ' ' A' ' 60' ' ' LEU . 34.5 p80 48.64 51.38 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.42 -34.3 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 59' ' ' SER . 33.3 mmt180 -104.18 170.12 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 mm -123.69 144.15 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -153.58 151.74 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.516 ' O ' ' C ' ' A' ' 67' ' ' LYS . 31.8 p -89.78 139.17 30.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -27.67 -56.37 0.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.01 -66.17 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.339 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.783 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 5.4 m170 -60.66 -43.83 97.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.796 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 55.1 t80 -50.0 -52.81 30.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.7 t30 -72.68 1.78 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -114.67 -23.48 9.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 69' ' ' HIS . 13.4 mt -108.67 -26.37 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.796 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -91.44 -51.36 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' SER . 11.8 tppt? -49.99 -42.51 49.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.6 t -37.96 116.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.843 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.1 mtmm -33.92 127.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.63 150.18 11.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.79 81.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.72 11.37 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' GLU . 1.9 t70 -62.4 165.42 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' ASP . 2.3 mm-40 33.66 42.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.33 48.3 0.74 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.76 173.18 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.904 0.383 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.17 140.69 26.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.5 m -122.9 156.08 35.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.29 160.79 16.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 161.61 45.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.9 p -123.33 141.35 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 t -65.58 99.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.49 -179.983 . . . . . . . . 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 1.45 -0.376 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -166.44 143.44 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -147.82 162.15 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.37 109.99 0.68 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -110.06 140.38 44.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 m -158.3 174.04 15.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.63 94.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.0 mtt -127.27 154.98 44.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -51.54 153.75 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -169.7 150.34 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 23.4 mp0 -79.55 115.78 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -36.11 -59.46 0.8 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.1 Cg_endo -69.76 113.2 3.3 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.06 108.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.044 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.715 ' H ' ' NE ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -85.17 179.08 7.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.59 ' HB3' HG21 ' A' ' 37' ' ' VAL . 6.1 mp0 -96.33 145.99 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.48 146.78 51.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.594 ' N ' HG23 ' A' ' 25' ' ' VAL . 45.7 t -73.84 128.42 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.688 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -84.39 15.27 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -114.34 -53.02 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.92 -16.0 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 71.24 47.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -121.92 135.18 54.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.668 HG23 ' HG3' ' A' ' 15' ' ' ARG . 19.7 m -42.53 100.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 30' ' ' ARG . 75.1 t -69.0 132.13 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -82.97 162.81 53.68 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.669 0.747 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 5.2 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 44.0 mmm -116.38 -30.08 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.752 ' O ' HD12 ' A' ' 40' ' ' ILE . 3.6 mm-40 -96.58 -14.1 22.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.645 ' HA ' HG11 ' A' ' 25' ' ' VAL . 59.4 ttt-85 -57.48 110.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -118.12 112.96 20.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD23 HH22 ' A' ' 30' ' ' ARG . 0.2 OUTLIER -69.83 117.11 11.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 43' ' ' PHE . . . -141.24 108.66 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 3.4 t-20 66.8 41.02 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' A' ' 32' ' ' LEU . 32.6 mt-30 61.39 36.01 17.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.683 ' NE2' HG11 ' A' ' 19' ' ' VAL . 15.5 mt-30 -149.58 149.84 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 16' ' ' GLU . 94.6 t -75.57 135.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.688 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 45.1 m-85 -144.51 152.97 41.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.4 m170 -88.96 125.52 35.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' O ' ' A' ' 29' ' ' GLU . 3.1 mp -41.89 -22.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' HIS . 70.3 m -96.15 -50.82 4.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' ARG . 99.6 m -55.13 -36.99 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 1.3 t80 -53.32 86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' CYS . 41.7 mtt180 -145.95 149.23 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -56.47 137.3 53.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.513 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.5 p -81.04 25.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.762 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -131.35 -59.25 0.98 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . 1.8 p -93.92 -26.73 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 74.67 51.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 48' ' ' CYS . 62.8 m-80 -121.48 126.92 50.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -48.12 145.67 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.06 172.61 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 p -114.41 -179.95 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.8 mt -77.59 46.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.66 -30.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.4 p -95.66 -10.89 28.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.28 153.47 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.76 116.65 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.466 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 6.1 t -107.81 146.99 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 42.7 tp -122.36 -67.86 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -111.7 35.79 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.26 -24.16 31.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 mmt-85 -91.05 145.01 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mm -90.35 149.95 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 51.4 m-85 -148.54 152.77 37.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.538 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.9 p -86.89 136.68 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -26.72 -56.75 0.2 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 66.8 Cg_exo -48.03 -67.16 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.292 . . . . 0.0 112.305 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.762 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 14.4 m170 -59.46 -42.14 91.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 16.5 t80 -53.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 91.1 m-20 -53.74 -31.05 46.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 75' ' ' LYS . 14.4 tt0 -67.85 -69.22 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.6 mt -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.744 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 1.4 m-85 -76.74 -60.31 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -78.43 148.75 33.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.449 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 52.6 p -158.31 176.67 12.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -92.28 100.54 13.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.73 -158.83 26.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -117.81 134.85 54.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -150.43 174.98 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.5 151.79 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -122.59 41.25 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -40.05 -85.43 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -53.92 130.69 38.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.99 84.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 m -99.97 157.72 16.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.34 140.31 8.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 148.75 65.75 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -152.22 156.17 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.4 p -153.96 158.31 40.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.502 -179.945 . . . . . . . . 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 -0.346 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -103.07 90.35 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -162.71 175.18 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.72 116.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 p -152.77 174.96 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -155.17 128.27 8.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.99 85.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mtt -140.84 135.2 31.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -59.44 115.72 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -146.3 158.61 43.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.8 149.07 11.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -60.74 -61.16 8.54 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.2 Cg_endo -69.83 2.28 3.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 51.32 53.02 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.86 171.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -87.16 157.94 19.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.74 149.2 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.481 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.3 t -79.98 138.06 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 33.6 m -88.68 13.39 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -117.39 -56.45 2.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -99.37 -15.45 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 56.47 47.1 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 24' ' ' THR . 14.7 ttmt -107.23 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.458 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.9 m -177.26 121.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.843 HG21 HG12 ' A' ' 37' ' ' VAL . 59.7 t -101.73 118.49 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -83.8 161.84 54.55 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.672 0.748 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 5.78 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.373 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -111.18 -19.17 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 pt-20 -126.91 20.26 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 61.1 ttt-85 -80.16 93.33 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.2 tt -95.07 109.38 21.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -70.47 126.1 28.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -149.17 118.58 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 73.5 m-20 62.23 38.36 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.4 mt-30 59.87 41.61 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -153.73 155.96 36.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.843 HG12 HG21 ' A' ' 25' ' ' VAL . 57.9 t -78.15 125.36 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.6 m-85 -136.21 146.87 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 3.2 m170 -81.43 135.39 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' GLU . 1.9 mp -52.03 -14.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -104.91 -47.56 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 44' ' ' ARG . 91.9 m -54.97 -36.11 65.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.74 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' CYS . 67.8 mtt180 -141.84 170.6 15.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -79.26 143.82 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -83.1 23.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.0 t80 -133.98 -58.68 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 p -97.17 -20.16 18.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.61 49.18 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -107.25 125.3 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -44.77 127.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.77 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLY . 8.3 m -150.89 138.21 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 69.5 mt -38.96 92.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 144.81 -20.05 1.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.551 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -125.82 18.28 7.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -107.45 171.91 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.42 125.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.474 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 52.9 p -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 29.6 tp -128.94 -68.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 97.2 m-70 -117.64 33.13 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.82 -26.58 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -89.56 136.06 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 mm -82.86 152.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -149.16 151.28 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -84.63 139.76 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 66' ' ' CYS . 2.7 mptm? -31.04 -54.94 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 67' ' ' LYS . 64.4 Cg_exo -47.92 -65.79 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.704 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 6.0 m170 -59.53 -41.1 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 22.5 t80 -55.68 -66.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -15.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 33.6 tt0 -90.08 -68.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.02 -35.52 77.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.823 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 3.9 m-85 -77.13 -71.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -79.26 137.64 37.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -172.14 -175.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.92 81.33 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.945 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.59 118.31 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.18 107.58 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -141.45 177.47 8.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.72 155.76 31.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -120.91 42.28 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.18 45.9 1.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -70.9 160.82 32.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.46 151.47 34.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.452 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -149.09 114.05 5.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.84 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.76 137.52 19.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -175.14 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.1 t -101.97 116.8 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -150.31 151.19 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.459 179.992 . . . . . . . . 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 1.452 -0.294 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -75.12 159.78 31.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -54.97 145.37 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.75 117.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -138.05 172.01 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -120.44 133.37 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 108.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.02 -33.18 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 139.08 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -82.59 88.81 6.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -150.25 163.38 38.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.867 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -44.43 170.51 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.37 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.685 ' HB1' HH21 ' A' ' 15' ' ' ARG . . . -175.93 105.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.685 HH21 ' HB1' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -41.55 155.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 51.0 mt-10 -83.0 140.48 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.29 149.32 50.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 41.9 t -75.71 136.21 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.9 m -91.13 18.79 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -121.77 -45.78 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -115.29 -14.41 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 81.7 mm-40 68.78 50.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 1.9 mptm? -125.44 131.45 52.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -40.1 104.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG21 HG12 ' A' ' 37' ' ' VAL . 81.6 t -74.38 120.29 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -77.27 160.49 75.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.621 0.724 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 3.54 2.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.274 . . . . 0.0 112.344 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 36.3 mtp -107.01 -24.32 12.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -119.75 20.43 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 22.0 ttt180 -82.01 106.19 13.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.3 tt -112.28 110.64 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.34 125.26 27.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -148.65 113.48 5.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.7 t30 64.97 38.08 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.432 ' HA ' HD11 ' A' ' 32' ' ' LEU . 35.1 mt-30 62.01 37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -148.49 145.64 28.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.68 HG12 HG21 ' A' ' 25' ' ' VAL . 61.2 t -74.53 121.35 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CE1' HG23 ' A' ' 19' ' ' VAL . 33.5 m-85 -128.95 152.74 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' SER . 4.9 m170 -88.87 123.96 33.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -39.17 -24.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 31.2 t -94.25 -54.98 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 90.1 m -50.14 -37.98 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -46.41 89.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' CYS . 61.8 mtm180 -145.2 172.57 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.0 t -80.56 136.38 36.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -81.38 21.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.793 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -125.76 -46.31 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 p -113.95 -16.5 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.7 m120 64.26 54.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.31 146.33 34.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 133.54 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -129.39 -174.23 3.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.93 175.2 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.83 83.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.0 -26.35 0.25 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.4 t -130.67 25.68 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 111.108 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -110.67 158.66 18.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.48 120.24 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 64' ' ' ILE . 10.2 t -113.05 158.4 20.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 28.7 tp -124.25 -68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -114.35 39.67 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.43 -30.44 10.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -85.45 128.97 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 59' ' ' SER . 12.8 mm -75.8 152.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -146.54 149.11 32.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.475 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.4 p -82.39 139.66 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.14 -53.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 66.7 Cg_exo -48.02 -65.23 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.793 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 8.4 m170 -60.68 -41.87 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 28.6 t80 -53.94 -69.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -48.1 -19.46 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 19.2 tt0 -86.07 -72.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.41 -38.64 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.822 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 4.8 m-85 -72.94 -62.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -172.31 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 m 74.23 43.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' GLY . 2.3 tppp? -125.59 154.58 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -37.66 154.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -41.48 106.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -146.36 161.92 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.58 24.08 13.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -125.24 42.72 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.53 73.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -87.35 141.64 28.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.09 124.82 7.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.9 m -159.16 113.92 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -174.62 137.99 4.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.17 41.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -46.17 125.18 6.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.7 p -114.06 128.06 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.473 179.964 . . . . . . . . 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 -0.354 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -51.86 117.85 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -164.2 146.41 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.59 165.42 13.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 m -136.78 133.1 35.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.9 p -70.71 134.76 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.12 -167.84 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.31 85.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -105.99 -53.12 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -82.02 177.86 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -52.04 117.51 2.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.683 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -67.16 -56.29 13.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.683 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.79 163.97 36.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 132.54 38.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' HG3' HG23 ' A' ' 24' ' ' THR . 16.3 ttp180 -85.51 140.36 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -91.66 173.53 7.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.99 151.48 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 42.6 t -80.75 127.58 32.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 38' ' ' PHE . 35.8 m -80.9 15.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.68 -55.77 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.82 -10.66 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.1 mm-40 66.93 47.97 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -120.77 150.18 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.435 HG23 ' HG3' ' A' ' 15' ' ' ARG . 25.8 m -59.1 101.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG21 HG12 ' A' ' 37' ' ' VAL . 93.6 t -72.32 126.45 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.91 162.42 52.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.3 3.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.45 -28.68 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' HA ' HD13 ' A' ' 40' ' ' ILE . 6.9 pt-20 -117.84 22.95 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -84.53 94.21 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -99.98 114.59 27.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -75.43 121.13 21.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.541 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -143.92 111.3 5.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 t30 68.59 39.45 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.501 ' HA ' HD11 ' A' ' 32' ' ' LEU . 18.7 mt-30 59.99 37.89 21.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.565 ' NE2' HG11 ' A' ' 19' ' ' VAL . 30.1 mt-30 -149.83 150.75 32.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.645 HG12 HG21 ' A' ' 25' ' ' VAL . 48.7 t -75.85 119.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 19' ' ' VAL . 37.5 m-85 -128.5 149.5 50.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.1 m170 -85.89 127.46 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 29' ' ' GLU . 2.1 mp -42.73 -22.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' HIS . 75.7 m -96.91 -53.06 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 75.6 m -53.21 -33.79 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.3 t80 -54.46 83.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' CYS . 48.7 mtt-85 -140.78 169.57 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.5 t -71.56 141.12 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 20.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.4 t80 -127.8 -54.85 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -103.12 -11.24 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 64.78 35.89 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -95.31 143.37 26.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -67.41 151.72 46.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.28 179.24 6.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.7 m -138.35 149.85 46.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.43 104.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.7 -37.63 1.92 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -98.47 -37.98 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 11.1 p90 -53.89 155.81 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -142.43 109.17 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.8 p -95.25 123.35 38.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.748 HD13 ' HE2' ' A' ' 74' ' ' PHE . 49.3 tp -108.38 91.44 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.6 m170 72.74 25.07 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.12 -32.38 6.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -76.6 121.96 23.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.75 138.97 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -144.08 141.29 29.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.1 p -70.3 169.01 14.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.585 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 9.1 mmtp -60.0 -52.82 70.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.4 Cg_exo -48.04 -64.23 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 23.4 m170 -60.03 -51.1 71.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 82.5 t80 -48.38 -20.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.86 -28.05 20.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' HIS . 27.6 tp60 -90.6 -64.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 mt -48.25 -27.7 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.748 ' HE2' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -101.25 -67.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.81 140.07 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -172.25 165.63 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -50.43 -43.73 55.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 47.81 90.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -174.99 126.47 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.73 169.11 22.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -126.24 24.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -126.73 76.3 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.28 46.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -121.79 121.35 37.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.17 124.18 2.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 t -47.4 116.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -140.71 65.28 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.48 50.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -115.61 105.89 13.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.5 m -62.49 95.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.523 -179.958 . . . . . . . . 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 -0.352 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -119.31 158.62 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -172.72 157.17 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 106.4 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -50.58 127.36 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 t -154.24 119.78 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.93 90.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.0 mtp -125.36 148.89 48.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -165.09 153.05 11.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -111.96 164.99 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -42.86 123.82 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -49.44 -57.0 13.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.0 Cg_endo -69.73 -0.95 7.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.39 42.44 31.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -54.4 171.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.773 ' HB3' HG21 ' A' ' 37' ' ' VAL . 20.9 mm-40 -91.74 171.47 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.96 145.83 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.533 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.8 t -67.41 127.37 32.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.2 m -84.53 15.86 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -116.36 -57.02 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.96 -12.32 18.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 66.89 50.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -126.33 134.43 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 m -43.43 108.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.756 HG21 HG12 ' A' ' 37' ' ' VAL . 82.8 t -78.69 122.36 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.91 161.68 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.704 0.764 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.93 4.03 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.4 ttm -104.82 -25.2 12.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 40' ' ' ILE . 10.6 pt-20 -120.18 22.75 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -84.03 106.55 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.4 tt -115.22 105.81 13.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -67.27 128.2 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -148.11 112.23 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' CG ' ' OG ' ' A' ' 59' ' ' SER . 28.4 t30 64.69 37.84 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' HD11 ' A' ' 32' ' ' LEU . 27.9 mt-30 64.59 36.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -148.16 148.25 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.773 HG21 ' HB3' ' A' ' 16' ' ' GLU . 57.6 t -76.17 120.92 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 31.8 m-85 -128.86 150.54 50.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' SER . 6.0 m170 -86.17 124.75 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.2 mp -40.55 -24.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' HIS . 29.1 t -94.06 -54.36 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 90.9 m -50.77 -40.17 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' C ' ' HG3' ' A' ' 44' ' ' ARG . 1.5 t80 -42.22 98.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 43' ' ' PHE . 55.3 mtm180 -153.3 171.41 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.4 t -75.13 142.19 43.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -83.57 26.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -133.49 -52.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -104.6 -24.68 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 73.39 45.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -100.54 146.04 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.73 135.9 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -128.55 -179.18 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 m -150.38 160.11 43.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -55.61 98.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.88 -39.39 1.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -99.62 8.12 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -112.13 142.3 44.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -124.62 103.7 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' OG ' ' CG ' ' A' ' 34' ' ' ASN . 79.9 p -88.05 127.88 35.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.087 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 20.4 tp -123.04 98.04 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.1 m170 74.66 24.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.84 -23.77 32.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.54 130.1 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.2 mm -84.26 146.11 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -149.91 148.34 29.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.1 p -83.53 136.04 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' CYS . 1.9 mptp? -29.98 -54.61 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HD2' ' C ' ' A' ' 66' ' ' CYS . 64.8 Cg_exo -47.98 -67.59 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.545 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.3 m170 -59.16 -43.76 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.769 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 11.7 t80 -52.16 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -17.0 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -80.3 -57.65 3.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.087 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 1.2 m-85 -72.68 -71.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 75' ' ' LYS . 4.6 tmtm? -76.63 148.85 36.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -169.95 149.8 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.27 120.53 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.56 120.23 18.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -82.6 153.29 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.559 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -143.81 152.13 40.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 49.04 24.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.94 40.09 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.96 -39.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.4 127.18 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.57 145.06 9.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.4 t -66.98 147.61 53.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.15 -170.88 17.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.18 14.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m -40.58 128.88 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.0 t -59.5 148.26 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.468 -179.975 . . . . . . . . 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 1.452 -0.281 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -114.78 114.95 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -74.37 97.36 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.04 -140.66 8.32 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -168.14 114.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -169.69 125.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.17 107.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -56.31 160.86 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.77 84.65 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -101.61 131.63 47.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -82.75 110.95 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -53.27 -59.48 9.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.4 Cg_endo -69.83 4.56 2.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.232 . . . . 0.0 112.341 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 55.55 51.14 13.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -70.95 146.4 49.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.0 mp0 -96.92 159.04 15.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.95 147.42 33.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.1 t -67.58 136.45 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.4 m -91.37 14.57 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -117.04 -56.64 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -101.24 -13.61 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 67.39 50.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -124.61 132.1 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.8 m -40.7 105.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 18' ' ' CYS . 83.1 t -75.4 126.98 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -84.56 160.37 56.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.629 0.728 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.42 2.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -107.27 -22.56 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 40' ' ' ILE . 5.9 pt-20 -123.77 21.67 9.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' NH2' HD23 ' A' ' 32' ' ' LEU . 47.3 ttt-85 -83.49 106.33 15.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.9 tt -113.68 112.4 23.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -76.36 123.51 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -146.21 111.6 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' ND2' ' OG ' ' A' ' 59' ' ' SER . 21.8 t30 70.13 37.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' HD11 ' A' ' 32' ' ' LEU . 15.7 mt-30 61.64 38.25 15.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -149.77 150.8 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.625 HG12 HG21 ' A' ' 25' ' ' VAL . 39.4 t -77.57 122.4 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.1 m-85 -132.19 149.38 52.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.3 m170 -86.06 124.67 32.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.8 mp -38.95 -25.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -93.89 -54.71 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 86.9 m -49.55 -40.04 36.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.54 87.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 42' ' ' CYS . 62.8 mtt180 -151.91 156.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.73 139.18 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -81.47 17.92 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.5 t80 -124.57 -58.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -96.48 -17.92 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m120 62.24 42.99 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.759 HD21 HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -99.36 147.94 24.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -65.3 129.16 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.759 HD21 HD21 ' A' ' 50' ' ' ASN . 8.6 mt -123.36 178.24 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.3 p -131.84 -175.63 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.67 46.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.79 -32.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -95.21 -12.37 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.795 0.331 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -74.05 165.76 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.0 112.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.405 ' OG ' ' ND2' ' A' ' 34' ' ' ASN . 65.9 p -101.75 148.07 25.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 41.2 tp -118.44 -68.42 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.418 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 24.2 m170 -117.38 -23.04 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.82 -30.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -92.25 147.24 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.0 mm -88.63 155.97 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -150.33 151.36 32.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 67' ' ' LYS . 29.2 p -85.11 138.83 32.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 66' ' ' CYS . 0.2 OUTLIER -30.54 -55.33 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 66.1 Cg_exo -48.01 -67.06 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 12.5 m170 -58.93 -46.86 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.801 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 15.4 t80 -48.44 -64.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -24.4 18.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 34.1 tt0 -77.4 -66.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.48 -32.36 73.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.801 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -81.98 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 72' ' ' GLN . 3.9 tppt? -83.82 165.97 18.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.3 p -156.76 150.77 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 108.22 19.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . 63.81 -95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 78' ' ' GLY . 21.0 m-80 33.36 46.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.46 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.38 101.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.03 41.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.35 77.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -55.69 130.38 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.54 -165.46 40.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.2 p -112.89 83.72 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.68 -95.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.49 50.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.3 p -88.7 151.52 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.6 t -87.1 134.23 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.502 179.982 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -107.21 94.44 5.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -164.01 139.96 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.17 83.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -126.22 160.2 30.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -145.57 109.0 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.31 74.37 2.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.5 mtt -149.32 112.87 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -162.11 143.82 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -142.96 160.81 39.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.454 ' NE2' ' CG2' ' A' ' 37' ' ' VAL . 24.3 mt-30 -47.78 166.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -43.94 170.06 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 53.3 Cg_endo -69.77 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.234 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 65.57 47.05 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.822 ' HG3' ' HB3' ' A' ' 12' ' ' ALA . 6.7 ptp180 -179.79 165.93 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB3' HG21 ' A' ' 37' ' ' VAL . 2.8 mp0 -101.39 153.03 20.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.75 150.77 48.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.525 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.5 t -73.64 135.2 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 34.9 m -88.99 15.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.31 -55.36 2.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -102.66 -12.33 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 79.7 mm-40 66.68 52.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 4.3 mptp? -126.57 138.1 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.6 m -47.45 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 HG12 ' A' ' 37' ' ' VAL . 87.6 t -75.31 127.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.83 162.39 52.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ptm -107.58 -25.17 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 40' ' ' ILE . 7.3 pt-20 -121.66 27.37 8.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HA ' HG11 ' A' ' 25' ' ' VAL . 65.6 ttt-85 -90.18 96.28 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -101.82 114.68 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -73.14 125.32 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.74 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.85 110.25 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.438 ' CG ' ' HB3' ' A' ' 59' ' ' SER . 3.3 m120 62.01 49.19 4.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 54.34 38.83 30.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -149.68 148.38 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG12 HG21 ' A' ' 25' ' ' VAL . 56.4 t -78.26 121.9 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -128.35 151.13 49.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' NE2' HG22 ' A' ' 25' ' ' VAL . 5.5 m170 -87.2 125.87 34.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 29' ' ' GLU . 2.8 mp -40.95 -23.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 39' ' ' HIS . 74.0 m -95.93 -54.07 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.9 m -51.06 -37.73 47.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 2.0 t80 -45.66 93.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' CYS . 54.5 mtm180 -146.94 167.63 23.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.87 135.83 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 65' ' ' TYR . 7.2 p -78.86 18.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.668 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.6 t80 -123.96 -52.83 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.23 -18.16 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 65.47 49.09 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -106.15 148.39 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 137.26 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -134.01 -174.75 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -157.3 -177.52 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.1 mt -77.48 42.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.34 -30.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -125.14 31.43 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -111.99 164.15 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -167.24 121.03 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 34' ' ' ASN . 9.3 t -114.17 156.54 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 32.0 tp -123.91 -67.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -113.37 41.09 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.5 -31.03 8.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -84.41 129.62 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.59 158.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 59.7 m-85 -154.26 152.69 30.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' LYS . 30.0 p -86.35 140.34 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' CYS . 3.9 mptp? -32.74 -53.67 0.61 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.3 Cg_exo -48.0 -66.01 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.668 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 13.2 m170 -60.11 -41.9 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.81 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 27.4 t80 -54.26 -69.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -50.3 -19.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 32.0 tt0 -82.77 -70.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.74 -33.91 73.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.81 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.9 m-85 -77.8 -64.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -78.6 171.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.9 t -157.94 109.15 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' SER . 2.2 mmmp? -36.14 -56.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.79 -169.76 42.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 60.57 41.08 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -39.71 146.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -131.5 172.46 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.47 43.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.24 72.98 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -135.26 135.22 40.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 173.93 136.11 2.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -130.37 100.23 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.37 121.97 4.3 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 111.42 2.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -70.47 165.3 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 m -154.5 168.2 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.459 -179.996 . . . . . . . . 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 1.45 -0.393 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 m -91.23 86.03 6.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -122.49 169.31 11.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.98 100.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -78.49 109.06 12.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -86.77 -45.23 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.04 111.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ptp -80.85 42.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.3 97.49 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -141.43 177.18 8.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -47.37 115.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -39.42 -60.9 1.13 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.558 0.694 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.81 149.8 67.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.03 100.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -96.12 136.51 36.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -88.97 167.97 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.46 152.2 29.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' VAL . 44.9 t -77.51 135.1 38.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.612 HG11 ' OE1' ' A' ' 36' ' ' GLN . 34.8 m -90.56 18.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -121.11 -48.11 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -111.78 -13.02 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 68.72 51.63 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -127.61 134.74 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.5 m -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.768 HG21 HG12 ' A' ' 37' ' ' VAL . 93.0 t -71.04 127.38 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -81.86 161.19 61.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.667 0.746 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.57 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.55 -31.59 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HA ' HD13 ' A' ' 40' ' ' ILE . 7.7 pt-20 -113.28 23.16 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HA ' HG11 ' A' ' 25' ' ' VAL . 36.6 ttt180 -83.98 100.58 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 31' ' ' LEU . 8.5 tt -106.96 107.65 18.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -70.01 123.41 21.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -145.67 111.89 5.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 59' ' ' SER . 14.8 t-20 65.69 41.01 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.461 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.3 mt-30 59.42 36.34 23.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' HG11 ' A' ' 19' ' ' VAL . 7.6 mt-30 -147.13 147.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.768 HG12 HG21 ' A' ' 25' ' ' VAL . 44.8 t -75.43 119.76 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 19' ' ' VAL . 36.0 m-85 -128.52 149.13 50.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -86.13 126.44 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 29' ' ' GLU . 3.0 mp -41.85 -23.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' HIS . 26.3 t -95.8 -53.25 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -52.09 -39.25 59.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE1' ' CB ' ' A' ' 33' ' ' ALA . 1.5 t80 -45.81 90.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' CYS . 53.4 mtm180 -147.07 176.85 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.8 t -81.83 137.78 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -79.82 15.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 1.9 t80 -122.75 -54.61 1.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 p -104.16 -20.66 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.28 48.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -104.39 140.82 37.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.2 mmtp -53.33 146.69 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 51' ' ' LYS . 20.8 mt -140.98 170.41 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -140.02 158.42 44.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.15 103.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.11 -36.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 70.7 p -98.63 -43.63 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -46.11 168.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 70' ' ' PHE . . . -166.02 113.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' HB3' ' ND2' ' A' ' 34' ' ' ASN . 12.9 t -103.19 154.27 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 31.4 tp -123.75 -63.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -118.03 35.63 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.5 -30.05 10.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -87.4 139.9 30.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 8.2 mm -81.31 161.13 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 64' ' ' ILE . 56.7 m-85 -157.49 140.96 15.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 31.8 p -74.09 144.67 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.641 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 18.0 mmtt -37.69 -51.36 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.5 Cg_exo -47.89 -66.93 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.341 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 11.6 m170 -59.19 -44.37 92.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.811 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 34.0 t80 -52.2 -69.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -50.51 -16.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 12.4 tt0 -87.76 -69.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.78 -39.57 92.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.811 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 5.4 m-85 -69.89 -57.22 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 8.2 tttt -76.43 175.65 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.1 m -157.84 155.88 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -66.41 123.62 20.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.14 -156.08 23.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.436 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' C ' ' OD1' ' A' ' 79' ' ' ASN . 28.9 t-20 -134.19 114.99 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ASP . 32.4 m-85 -143.8 157.64 44.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 80' ' ' TYR . 5.1 t70 -37.47 141.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -128.23 41.62 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.41 44.08 3.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.96 129.79 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.6 140.84 15.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -128.51 164.54 22.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.31 161.65 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 154.25 67.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -55.2 115.6 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -51.21 175.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.488 179.973 . . . . . . . . 0 0 . 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 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -99.48 98.59 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.93 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.8 p -115.55 140.59 49.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.39 131.54 1.82 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -96.52 149.87 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -155.06 142.08 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.01 135.45 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.7 mmm -122.36 80.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -87.96 103.72 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' ALA . 35.1 p90 -94.74 156.1 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' CD ' ' A' ' 11' ' ' GLN . 2.9 pp0? -58.84 77.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -43.49 -58.82 3.92 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 111.054 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.3 Cg_endo -69.74 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.49 69.47 5.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -147.97 163.68 36.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 37' ' ' VAL . 51.2 mm-40 -98.25 175.53 6.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.48 153.43 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 31.3 t -78.92 124.32 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG11 ' OE1' ' A' ' 36' ' ' GLN . 29.4 m -79.5 13.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -114.88 -58.48 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -100.83 -12.83 18.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 86.5 mm-40 67.82 50.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.15 133.06 51.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.4 m -45.02 104.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.759 HG21 HG12 ' A' ' 37' ' ' VAL . 89.1 t -72.96 129.77 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.05 162.25 49.99 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.695 0.76 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 53.8 Cg_endo -69.75 4.74 2.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.436 ' CE ' ' HG2' ' A' ' 27' ' ' PRO . 2.2 mpt? -107.3 -33.5 7.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HA ' HD13 ' A' ' 40' ' ' ILE . 9.5 pt-20 -113.03 23.33 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.485 ' HA ' HG11 ' A' ' 25' ' ' VAL . 41.3 ttt180 -85.82 104.94 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 31' ' ' LEU . 6.9 tt -112.87 108.42 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -68.14 126.84 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.652 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -147.05 114.52 6.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.541 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 53.0 m-20 62.45 41.15 10.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 32' ' ' LEU . 23.5 mt-30 61.21 38.2 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.718 ' OE1' HG11 ' A' ' 19' ' ' VAL . 13.4 mt-30 -150.16 151.19 32.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.759 HG12 HG21 ' A' ' 25' ' ' VAL . 58.3 t -78.72 120.32 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 30.0 m-85 -127.53 151.47 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m170 -88.33 123.37 32.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.488 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.3 mp -38.5 -25.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.7 t -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' ARG . 95.6 m -50.69 -39.74 52.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 1.4 t80 -48.17 88.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' CYS . 88.5 mtt180 -147.86 161.48 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.1 t -66.19 139.13 58.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -83.95 27.17 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.737 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 3.1 t80 -131.82 -56.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 p -98.48 -26.36 14.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 59.9 t30 74.79 40.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.744 HD21 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -98.43 143.6 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.15 135.02 57.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD21 HD21 ' A' ' 50' ' ' ASN . 14.7 mt -126.95 175.07 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -145.74 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -49.18 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.85 -34.32 2.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.417 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.3 p -96.92 -31.39 12.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 111.114 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 10.8 p90 -61.79 165.37 5.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -162.22 111.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.541 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 39.9 t -96.3 163.4 13.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 22.4 tp -127.98 -74.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 86.9 m-70 -114.27 -40.18 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -173.33 30.96 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -152.4 132.18 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.55 151.05 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -147.92 151.27 35.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.476 ' C ' ' HD2' ' A' ' 68' ' ' PRO . 24.3 p -86.36 147.08 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.677 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 30.4 mmtt -41.81 -48.51 10.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 65.1 Cg_exo -47.97 -61.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.737 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 16.4 m170 -68.25 -48.64 64.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.747 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 30.9 t80 -44.22 -59.05 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -51.84 -20.72 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -93.46 -68.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.87 -30.06 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.747 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -93.14 -68.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 76' ' ' SER . 4.6 tmtt? -83.78 152.2 24.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.485 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 89.6 p -155.1 126.09 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -114.27 -53.81 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.49 -87.22 1.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.51 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -64.32 150.21 46.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -129.72 148.85 51.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 160.22 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.96 41.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.54 51.09 0.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -89.34 120.04 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.38 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.14 154.48 25.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.9 p -161.75 160.03 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.23 -163.63 24.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 166.41 27.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.0 t -145.74 134.59 22.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.3 t -138.24 173.6 11.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.472 179.982 . . . . . . . . 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 1.451 -0.309 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -163.41 156.41 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -158.29 169.36 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.25 113.9 1.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.41 120.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -151.6 146.17 25.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 82.28 111.72 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 1.6 mpt? -143.18 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -122.89 146.47 47.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -162.97 164.8 25.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.474 ' HB3' ' CD ' ' A' ' 15' ' ' ARG . 8.9 pt20 -84.24 151.12 25.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -131.39 -72.44 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 53.4 Cg_endo -69.77 -54.45 0.22 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.75 2.3 . . . . 0.0 112.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -178.15 149.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.865 ' HD2' HG23 ' A' ' 24' ' ' THR . 3.8 ptt180 -165.28 174.13 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' OE2' ' NE ' ' A' ' 30' ' ' ARG . 66.2 mt-10 -107.04 148.19 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 146.86 42.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -70.1 128.37 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 35.2 m -83.27 14.77 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 42' ' ' CYS . 14.7 mt-10 -117.32 -63.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.0 p -94.66 -20.93 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 3.0 mm100 74.5 52.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -127.09 130.78 50.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.865 HG23 ' HD2' ' A' ' 15' ' ' ARG . 3.2 m -39.14 104.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.59 HG21 HG12 ' A' ' 37' ' ' VAL . 96.2 t -75.43 123.34 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.44 162.43 58.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.24 2.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -105.6 -27.54 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.498 ' HA ' HD13 ' A' ' 40' ' ' ILE . 8.7 pt-20 -118.46 23.43 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 28.5 ttt180 -85.63 103.54 14.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tt -110.73 114.28 27.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -74.05 129.29 37.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' N ' HD13 ' A' ' 32' ' ' LEU . . . -151.27 115.54 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.557 ' ND2' ' CB ' ' A' ' 59' ' ' SER . 71.1 m-20 62.17 39.51 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 32' ' ' LEU . 24.5 mt-30 61.02 40.74 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -151.6 155.72 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 25' ' ' VAL . 41.6 t -81.89 123.25 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 19' ' ' VAL . 38.2 m-85 -131.95 150.81 52.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.7 m170 -87.31 124.09 32.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.6 mp -38.79 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 t -93.65 -53.93 3.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' ARG . 97.3 m -51.81 -33.17 34.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.78 86.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.54 HH11 ' ND2' ' A' ' 49' ' ' ASN . 69.6 mtt180 -139.45 168.35 20.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.1 t -76.9 139.41 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 t -81.02 23.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.6 t80 -131.4 -60.75 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.491 ' SG ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p -96.41 -25.17 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.54 ' ND2' HH11 ' A' ' 44' ' ' ARG . 4.8 t30 72.53 54.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.491 ' ND2' ' SG ' ' A' ' 48' ' ' CYS . 83.4 m-20 -115.56 124.99 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' CE ' ' HA ' ' A' ' 41' ' ' SER . 22.2 tttt -45.5 134.07 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.17 -177.15 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LEU . 16.8 m -153.15 140.07 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 32' ' ' LEU . 54.0 mt -37.51 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' SER . . . 138.54 -29.28 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -115.71 15.65 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -108.99 162.54 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.01 118.33 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.557 ' CB ' ' ND2' ' A' ' 34' ' ' ASN . 22.7 t -108.12 162.21 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 47.7 tp -133.71 -75.59 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 23.7 m170 -104.19 55.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.72 29.34 67.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -142.37 127.13 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.51 142.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -142.16 146.16 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.406 ' HB2' ' HD2' ' A' ' 68' ' ' PRO . 31.3 p -79.15 147.58 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.8 mptp? -39.88 -52.23 5.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 65.5 Cg_exo -48.01 -66.28 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.779 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 15.4 m170 -59.71 -48.13 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 24.9 t80 -49.6 -53.64 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.9 t30 -65.22 -2.99 3.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' HIS . 10.7 tp60 -105.41 -57.14 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.794 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -89.74 -59.09 2.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -60.37 178.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 78' ' ' GLY . 40.0 t -125.29 84.89 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER 34.35 33.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -35.63 -40.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -55.6 174.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -119.5 11.42 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -159.13 137.69 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.74 37.06 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.79 -33.49 2.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' A' ' 84' ' ' PHE . 29.7 t80 63.86 44.68 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.86 115.39 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -125.32 170.69 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.15 92.36 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 172.39 12.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.336 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.24 166.22 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -139.26 156.89 46.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.482 179.99 . . . . . . . . 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 N--CA 1.451 -0.329 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -104.57 137.57 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.917 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -82.64 93.6 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.74 74.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -136.97 113.72 10.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.839 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -50.91 143.37 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.94 53.02 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -42.88 160.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 33.1 tttt -149.64 138.56 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 9' ' ' LYS . 51.2 m-85 -156.62 173.68 16.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -110.72 141.25 44.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 13' ' ' PRO . . . -66.86 -60.1 6.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.627 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 12' ' ' ALA . 54.1 Cg_endo -69.75 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.387 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.61 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.685 ' HD2' HG23 ' A' ' 24' ' ' THR . 12.2 ptt85 -137.83 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' OE2' ' CG2' ' A' ' 37' ' ' VAL . 27.2 mt-10 -100.29 148.84 24.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.14 149.2 51.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 37.5 t -74.62 128.45 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 m -83.03 16.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 5.5 mm-40 -118.76 -56.39 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.18 -13.7 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 40.8 mm-40 68.29 51.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 22' ' ' GLN . 11.9 mptt -126.18 132.3 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.685 HG23 ' HD2' ' A' ' 15' ' ' ARG . 89.8 m -42.65 103.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 HG12 ' A' ' 37' ' ' VAL . 98.1 t -72.91 126.67 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.8 161.58 57.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.715 0.769 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.47 2.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -107.74 -27.69 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HA ' HD13 ' A' ' 40' ' ' ILE . 17.2 pt-20 -118.26 26.16 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.65 ' NH2' HD23 ' A' ' 32' ' ' LEU . 39.1 ttt-85 -87.48 104.44 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 31' ' ' LEU . 7.8 tt -112.54 111.25 21.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD23 ' NH2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -71.07 128.82 37.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.616 ' HB3' ' CD2' ' A' ' 38' ' ' PHE . . . -149.62 112.91 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 61.93 41.38 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 32' ' ' LEU . 25.9 mt-30 61.09 42.02 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' NE2' HG11 ' A' ' 19' ' ' VAL . 33.8 mt-30 -153.42 148.28 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG12 HG21 ' A' ' 25' ' ' VAL . 58.6 t -78.33 117.72 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HB3' ' A' ' 33' ' ' ALA . 32.4 m-85 -124.08 150.85 44.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.6 m170 -86.53 123.67 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -39.66 -24.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' HIS . 32.7 t -93.8 -53.86 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 91.8 m -50.82 -40.7 56.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CZ ' ' CG ' ' A' ' 57' ' ' TYR . 2.0 t80 -46.69 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -151.27 162.72 40.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 t -65.87 140.63 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.84 28.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' CD1' ' CE1' ' A' ' 69' ' ' HIS . 2.1 t80 -134.84 -51.53 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 p -110.03 -16.32 13.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m120 64.26 50.29 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 138.29 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -131.01 -177.02 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m -148.71 159.03 44.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.44 103.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.43 -39.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -96.52 -27.04 15.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 0.0 111.165 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CG ' ' CZ ' ' A' ' 43' ' ' PHE . 4.0 p90 -68.07 141.82 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 70' ' ' PHE . . . -129.0 97.37 4.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.459 ' OG ' HD13 ' A' ' 64' ' ' ILE . 34.3 m -91.04 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.799 HD13 ' HE2' ' A' ' 74' ' ' PHE . 7.3 tp -113.41 122.89 48.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 92.0 m-70 64.88 25.36 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.48 10.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -79.78 135.9 36.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 3.9 mm -84.12 157.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ILE . 64.6 m-85 -160.98 159.62 29.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.68 165.12 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.591 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 8.8 mmtt -55.37 -51.37 80.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 67' ' ' LYS . 64.8 Cg_exo -47.92 -64.7 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.476 ' CE1' ' CD1' ' A' ' 47' ' ' TYR . 27.5 m170 -63.12 -48.72 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.775 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 72.8 t80 -50.57 -15.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 77.3 m-20 -101.33 -21.3 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -89.63 -37.36 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.14 -37.3 26.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.799 ' HE2' HD13 ' A' ' 60' ' ' LEU . 2.9 m-85 -82.18 -61.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 3.5 tttp -72.36 -178.79 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.0 p -167.6 172.81 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -155.37 136.83 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.34 64.35 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -84.57 147.24 27.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -122.23 126.34 48.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -112.49 169.35 8.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -92.06 41.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.98 -43.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -86.92 101.09 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.388 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.7 92.37 0.58 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 m -118.92 162.58 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.385 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.54 155.66 9.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 170.71 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 t -96.21 114.84 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.4 p -114.2 122.1 45.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.456 -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_