data_2fc7_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 2fc7 _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 ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -87.17 113.5 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -93.26 139.26 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.32 -31.98 6.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.91 121.76 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 16.5 tttt -117.63 142.73 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.2 t -65.45 125.18 24.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 22.57 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.41 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -120.44 -60.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.6 p -97.97 -39.05 9.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.01 29.92 4.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.8 tt -88.14 121.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.5 tt0 -152.14 138.07 11.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.72 161.82 85.28 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.38 -0.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -82.62 119.27 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -97.66 151.65 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.38 -121.1 5.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.79 133.13 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -104.76 99.99 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 89.3 m95 -69.1 100.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -95.34 121.91 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -54.86 145.23 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -100.66 -40.43 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 12.5 t0 -60.88 -53.9 51.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -48.19 152.14 1.59 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.09 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.96 36.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.393 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -95.12 -39.23 10.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.3 tpt -102.02 29.16 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.3 p -60.55 131.78 51.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 20.4 mt -102.36 164.74 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.18 125.12 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE2' HD22 ' A' ' 70' ' ' LEU . 59.2 m-85 -119.44 141.01 49.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' CYS . 26.5 p -76.35 148.58 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -35.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.61 -43.07 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.2 m -97.92 24.25 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 59.6 p -74.87 -30.12 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -96.85 11.56 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.2 160.31 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.21 116.69 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 64.3 t60 -124.05 133.0 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -125.13 118.65 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.406 ' CG2' ' CD2' ' A' ' 59' ' ' HIS . 7.0 p -123.11 -174.12 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -42.77 -47.65 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mt -103.71 -56.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.523 ' CG ' HD12 ' A' ' 48' ' ' LEU . 50.3 t60 -56.55 146.07 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmtt -143.45 -179.94 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.29 -34.13 59.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.4 -33.87 76.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.513 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.1 m170 -47.54 158.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -112.79 162.39 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.403 HD22 ' CE2' ' A' ' 50' ' ' PHE . 64.0 mt -123.24 143.62 49.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -110.35 116.96 52.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.6 Cg_endo -69.75 100.05 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -93.07 97.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.22 -63.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.1 113.5 20.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.49 148.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.27 -33.74 4.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -90.53 130.92 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.0 tttp -122.91 145.29 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -68.37 146.26 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.31 -20.13 17.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.503 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -75.98 -57.82 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.49 -46.82 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 114.78 20.62 5.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.7 tt -69.63 122.56 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.1 tt0 -151.9 133.19 7.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.75 161.38 86.28 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.347 -0.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -81.76 117.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 31' ' ' PRO . 1.7 mp0 -96.39 133.23 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.16 -118.49 5.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG21 ' CD1' ' A' ' 74' ' ' TYR . 88.1 t -118.9 126.39 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NH2' HD13 ' A' ' 73' ' ' ILE . 21.4 ttp-105 -92.71 110.2 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.4 m95 -77.92 95.38 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -87.05 121.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 t -57.44 144.26 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.05 -37.53 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' CB ' ' CG ' ' A' ' 68' ' ' HIS . 2.2 m-20 -62.42 -52.01 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.6 m -49.55 151.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.18 19.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -7.11 20.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -104.96 -28.73 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 11.4 tpt -110.44 28.75 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.7 p -57.6 131.01 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 64' ' ' HIS . 11.4 mt -102.39 164.5 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.08 127.23 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -126.85 124.35 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -65.61 144.99 56.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.35 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.35 -46.92 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.503 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.2 m -90.62 21.13 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 90.3 p -72.98 -34.72 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.27 8.28 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.8 m -89.69 159.13 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.01 115.12 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 26.2 t60 -126.49 128.28 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.82 122.05 38.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 p -121.4 -175.45 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -42.24 -46.76 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 20.8 mt -103.95 -54.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 21.3 t60 -57.32 150.95 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -149.73 -179.32 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.68 -29.74 40.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -24.6 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.475 ' CG ' ' CB ' ' A' ' 41' ' ' ASP . 11.3 m170 -55.82 161.05 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.51 165.05 11.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -129.24 146.97 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -114.3 115.93 44.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.472 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.1 Cg_endo -69.79 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.415 HD13 ' NH2' ' A' ' 36' ' ' ARG . 53.0 mt -94.4 98.33 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' VAL . 4.1 m-85 -66.72 -50.64 62.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -80.63 113.55 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.46 135.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.9 -27.63 19.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 21.4 tttt -121.65 143.21 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -69.93 141.94 53.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.03 -14.66 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.498 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.89 -55.14 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.0 p -104.42 -46.23 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.15 24.13 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG21 ' CB ' ' A' ' 24' ' ' CYS . 6.2 tt -76.3 125.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.2 tt0 -151.87 132.26 7.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.69 164.7 78.33 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.388 -0.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.7 124.25 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -99.32 144.04 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.8 -123.01 6.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.82 136.65 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -103.54 97.58 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 92.8 m95 -67.47 98.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.25 121.97 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 t -54.22 146.35 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -101.06 -40.75 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 5.2 t0 -63.62 -54.81 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -44.87 152.29 0.57 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.14 25.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -9.08 25.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -100.88 -38.51 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.9 tpt -102.97 25.81 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -58.04 129.73 43.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 64' ' ' HIS . 8.6 mt -98.56 162.95 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -140.7 129.08 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -125.42 131.69 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' SER . 30.4 p -71.14 145.62 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -37.03 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 t -70.97 -45.36 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.498 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 82.9 m -94.21 22.95 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.525 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 47.1 p -72.26 -38.62 68.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.09 11.39 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.0 154.52 18.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.15 116.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 15.6 t60 -124.71 130.1 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -122.64 118.69 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 p -121.19 -176.46 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -43.06 -45.32 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.6 mt -104.92 -51.02 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 22.5 t60 -60.35 149.71 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -149.04 179.13 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.99 -38.41 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.73 -29.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 41' ' ' ASP . 14.7 m170 -53.07 152.88 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -104.35 165.24 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -125.48 148.67 48.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -114.63 114.11 44.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.74 101.51 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -94.78 98.09 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.57 -46.08 73.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.95 113.56 25.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.8 t -94.15 132.87 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.3 -32.26 7.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 36' ' ' ARG . 60.6 m-85 -91.45 124.34 35.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.7 tttp -117.25 145.98 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.0 t -69.89 140.81 53.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.1 -17.28 22.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -76.79 -59.03 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.9 p -102.38 -48.85 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 116.5 26.54 3.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.22 126.45 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.6 tt0 -151.77 134.21 8.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.79 166.94 72.83 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.332 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -86.0 114.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.34 145.81 24.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.85 -124.52 7.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 74' ' ' TYR . 78.0 t -105.5 134.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 22' ' ' PHE . 36.8 ttp85 -101.25 97.36 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 89.2 m95 -67.33 96.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 39' ' ' CYS . 4.9 t60 -91.56 123.9 35.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 30.9 t -56.43 143.38 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -101.48 -33.9 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 45.5 t0 -66.67 -55.93 12.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.4 m -44.52 151.44 0.59 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.12 22.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.96 -26.72 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 tpt -114.33 27.1 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 m -57.23 136.97 56.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 64' ' ' HIS . 22.6 mt -110.26 164.96 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -143.52 128.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -122.59 134.34 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -72.36 145.13 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.79 -33.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.2 t -66.25 -45.92 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 78.6 m -94.03 22.73 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.543 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.5 p -71.15 -39.62 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.09 14.74 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.9 m -92.84 154.91 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 tp -115.93 111.28 20.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 20.9 t60 -119.91 131.1 55.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -124.84 118.52 26.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.4 p -122.77 -174.64 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -41.83 -49.13 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.52 -56.3 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 61.5 t60 -58.56 149.01 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -147.18 -177.64 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -76.77 -40.57 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.14 -35.46 73.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 14.8 m170 -46.48 153.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.86 164.58 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.12 143.75 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -112.08 114.9 50.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.78 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.3 mt -94.69 98.38 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' HG21 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.41 -47.69 72.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -85.66 113.59 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 21' ' ' GLY . 68.6 t -94.25 139.67 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 20' ' ' VAL . . . 96.76 -24.85 29.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -101.45 127.65 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 7.5 tttp -118.99 144.08 46.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.5 t -67.31 136.84 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -89.98 -14.81 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -79.99 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.0 p -96.1 -48.01 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.92 19.25 4.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 tt -70.76 123.46 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 24.0 tt0 -152.0 134.52 8.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.72 163.23 82.26 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.385 -0.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -83.44 121.11 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.12 149.97 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 -119.56 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -106.05 136.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -105.08 94.3 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.523 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 91.7 m95 -65.78 95.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -92.46 121.99 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.49 146.97 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.86 -34.95 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 42.5 t0 -66.43 -52.69 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -46.96 152.89 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.85 27.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.33 -34.8 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 tpt -105.01 29.7 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -58.04 133.89 55.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.1 mt -105.2 165.06 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.38 130.85 18.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.78 134.96 49.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.6 p -72.95 143.88 47.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -34.02 -34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -65.2 -48.21 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 86.2 m -90.41 22.61 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.523 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 53.0 p -72.65 -27.42 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -100.93 10.41 41.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.2 m -90.19 155.51 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.33 119.63 36.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -128.35 133.53 48.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.06 118.55 26.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.5 p -121.44 -175.11 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -44.03 -45.8 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.4 mt -105.28 -54.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.524 ' CG ' HD12 ' A' ' 48' ' ' LEU . 68.4 t60 -60.33 143.49 52.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -139.74 -176.23 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.62 -26.32 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.17 -22.73 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 15.0 m170 -57.63 153.75 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -104.45 160.88 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.22 148.54 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.31 115.21 42.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.664 0.745 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.79 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.32 98.31 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.99 -50.7 65.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.87 113.51 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -90.31 135.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.44 -32.47 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' NE ' ' A' ' 36' ' ' ARG . 37.0 m-85 -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.5 tttp -117.2 147.6 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.9 t -70.19 131.62 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.67 27.04 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -128.79 -62.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.63 -34.95 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.85 30.82 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 tt -86.14 123.83 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.4 tt0 -151.89 133.71 8.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.8 165.35 76.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.348 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -83.78 121.66 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.464 ' NE2' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mp0 -99.73 141.82 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.86 -122.58 7.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.0 t -108.5 128.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' NE ' ' CG ' ' A' ' 22' ' ' PHE . 28.3 ttp85 -96.75 108.26 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.448 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.9 m95 -77.97 91.93 4.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -85.72 118.47 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -52.2 148.15 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -102.93 -40.47 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -62.29 -56.2 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 150.63 0.41 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 169.29 19.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.61 29.0 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.14 -28.97 11.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.0 tpt -111.93 23.16 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 m -57.38 128.64 38.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' CG ' ' A' ' 64' ' ' HIS . 13.9 mt -101.15 165.06 11.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.92 128.33 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -120.71 145.74 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' CYS . 24.5 p -76.98 149.82 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -37.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 t -64.53 -41.56 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 76.6 m -98.06 23.31 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.437 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 53.9 p -73.92 -35.41 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.46 14.66 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -92.47 154.76 18.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -115.53 110.53 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.532 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.0 t60 -125.28 123.8 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -118.77 120.81 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -119.6 -174.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -39.66 -49.75 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.5 -56.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 14.9 t60 -53.46 153.0 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -153.33 178.94 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.11 -38.18 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -61.7 -34.73 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.7 m170 -46.89 156.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -107.18 165.39 11.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.7 143.86 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.95 113.06 57.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.68 99.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 58.8 mt -93.49 98.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.7 -48.87 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -84.79 113.47 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.97 132.04 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.64 -33.61 6.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -87.98 141.87 28.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -134.2 142.95 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.68 130.39 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.84 18.71 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.2 t30 -117.46 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.09 -29.62 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.9 30.47 8.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.7 tt -85.41 122.24 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.9 tt0 -152.17 134.08 8.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.4 Cg_endo -69.81 163.44 81.94 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.373 0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -82.2 125.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -103.28 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.6 -125.02 6.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 74' ' ' TYR . 69.8 t -108.02 123.04 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -90.6 111.29 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.535 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.6 m95 -81.13 96.41 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 7.6 t60 -89.69 119.23 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.3 t -52.56 148.76 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -105.62 -39.96 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.502 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.74 -49.68 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.28 152.82 5.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.38 24.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.93 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.45 -28.87 7.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 tpt -110.28 30.38 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 91.0 p -60.46 141.94 55.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -112.03 164.92 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -139.81 131.18 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -132.16 128.35 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.8 p -68.85 146.9 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.1 -33.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 5.1 t -67.98 -47.0 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 61.4 m -94.78 23.97 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.514 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.4 p -73.29 -37.08 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.09 15.7 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.86 162.97 18.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -120.42 109.39 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.587 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 35.5 t60 -122.05 127.08 49.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -124.14 120.37 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -123.81 -175.62 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -42.12 -42.22 2.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.6 mt -109.25 -51.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 23.8 t60 -61.17 151.24 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 42.6 mmtt -150.84 177.26 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -72.28 -42.17 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.96 -32.81 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 10.3 m170 -47.81 151.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -101.87 166.34 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.0 mt -129.68 141.64 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -108.09 114.23 59.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.535 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.3 Cg_endo -69.73 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt -94.9 99.16 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.475 ' CD1' HG21 ' A' ' 35' ' ' VAL . 3.8 m-85 -67.44 -55.3 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -87.22 113.4 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.16 133.06 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.48 -31.87 8.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -91.87 120.37 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.9 tttt -115.28 139.18 50.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.97 127.5 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -89.6 23.62 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.3 t30 -122.3 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.12 -39.08 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 30.63 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 tt -89.55 120.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.179 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.7 tt0 -152.37 138.8 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.47 83.97 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.87 113.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -98.6 115.41 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.79 -122.98 4.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.8 124.76 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -93.2 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.9 m95 -81.75 96.68 7.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -88.6 122.96 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.9 t -60.45 145.24 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -97.42 -38.26 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.478 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -62.74 -51.33 67.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -51.31 150.04 6.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 45' ' ' GLU . 53.9 Cg_endo -69.71 168.03 22.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 43' ' ' PRO . 10.0 pm0 -104.69 -32.28 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 tpt -108.55 31.71 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -58.43 149.41 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 64' ' ' HIS . 34.2 mt -120.08 164.64 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 2.3 p-10 -142.05 126.47 17.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -122.67 131.26 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' CYS . 25.4 p -69.93 144.79 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -35.56 -37.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.17 -45.72 87.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 73.1 m -93.72 20.52 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.511 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 27.7 p -69.49 -39.14 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -92.3 13.3 19.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.26 164.27 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 tp -120.55 111.52 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -123.48 128.15 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -119.5 126.8 52.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -126.69 -178.62 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -41.25 -47.02 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -105.58 -50.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 48.5 t60 -61.19 151.08 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 33.2 mmtt -146.61 -175.59 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.87 -45.26 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -36.13 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 11.1 m170 -41.76 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -107.34 164.17 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -128.24 146.95 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -116.09 114.51 41.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.4 Cg_endo -69.73 101.69 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.632 2.222 . . . . 0.0 112.397 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -95.18 101.9 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.7 -51.85 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 1.5 mpt_? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -79.26 113.38 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.5 145.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.4 -35.4 4.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -86.46 154.76 20.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 9.7 tttp -147.95 141.99 25.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -67.12 126.38 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.17 -8.2 59.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.47 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -85.39 -69.54 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.0 p -90.96 -47.15 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.74 29.86 2.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 tt -82.31 120.64 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -150.49 136.51 10.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.743 . . . . 0.0 110.853 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.81 158.09 91.52 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.369 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.408 HD12 ' CA ' ' A' ' 23' ' ' LYS . 81.6 mt -83.99 119.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 141.18 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.64 -120.31 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.37 117.78 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -87.91 101.91 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.8 m95 -74.44 96.59 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -92.27 120.25 32.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.36 149.82 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -107.5 -38.56 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.3 m-20 -62.84 -50.94 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.0 m -49.94 150.9 3.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.6 18.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.6 4.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -111.84 -34.47 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.47 ' CG ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -103.35 24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.9 p -57.26 132.55 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 HD13 ' CG ' ' A' ' 64' ' ' HIS . 29.8 mt -111.96 163.97 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.5 129.71 31.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.97 132.61 54.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.2 p -73.86 145.65 44.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.63 -35.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -64.67 -45.97 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 69.8 m -94.81 22.58 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.3 p -69.42 -37.88 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.65 15.48 19.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.63 164.63 15.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.2 tp -120.63 109.41 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -125.43 118.65 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -113.8 125.16 53.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.8 p -122.25 -174.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.3 -49.97 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HD13 ' CG ' ' A' ' 46' ' ' MET . 42.5 mt -104.67 -54.24 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 13.6 t60 -52.04 154.03 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 31.4 mmtt -153.08 176.96 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.75 -43.94 57.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.3 -34.99 67.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 12.9 m170 -46.46 161.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.88 166.87 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.3 mt -129.55 142.22 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -109.14 114.11 58.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.78 101.88 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.91 98.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -65.68 -48.15 73.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -82.1 113.48 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 21' ' ' GLY . 69.4 t -95.76 137.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' HG13 ' A' ' 20' ' ' VAL . . . 102.22 -35.11 5.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.34 128.89 35.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -122.04 129.46 52.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.417 ' CB ' HG22 ' A' ' 29' ' ' ILE . 47.0 t -57.44 124.86 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.17 13.16 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -110.43 -69.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 p -90.66 -26.25 19.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 21.95 31.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' ' 24' ' ' CYS . 5.5 tt -76.95 116.25 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.1 tt0 -148.76 135.72 10.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.7 163.22 82.23 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.42 127.91 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -105.19 150.38 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.5 -120.58 5.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.68 130.19 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 49.1 ttp85 -100.56 99.8 10.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 87.8 m95 -68.62 97.81 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -92.96 123.75 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -55.14 143.47 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -101.1 -36.61 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.455 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 31.3 t0 -64.04 -55.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 m -43.44 153.86 0.36 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.31 28.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.34 8.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -110.2 -33.39 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.9 tpt -106.85 29.87 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 p -57.94 139.05 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' A' ' 64' ' ' HIS . 21.5 mt -110.5 164.87 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -143.96 127.43 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.0 138.23 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' CYS . 19.6 p -73.53 148.25 43.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.82 -34.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 t -66.58 -41.21 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 77.3 m -98.18 22.8 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 69.0 p -69.9 -40.23 75.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.07 15.32 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.2 m -91.15 155.94 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -117.41 113.17 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.4 t60 -123.35 131.81 53.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.27 118.59 26.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.9 p -121.48 -174.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -50.79 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -101.07 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 59.7 t60 -58.2 147.38 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 22.7 mmtp -143.8 -176.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -77.59 -41.79 37.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -34.9 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.455 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.7 m170 -46.21 153.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -106.34 164.6 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -125.03 147.99 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.49 115.38 42.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.2 Cg_endo -69.76 99.84 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.89 99.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.31 -45.12 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -77.65 115.09 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 21' ' ' GLY . 64.5 t -92.18 136.2 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 20' ' ' VAL . . . 101.89 -35.55 4.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' NH2' ' A' ' 36' ' ' ARG . 93.0 m-85 -85.82 133.74 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -129.17 128.28 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.34 124.25 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.74 3.05 30.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.06 -69.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 p -91.56 -34.44 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.62 20.14 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.73 115.86 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -149.01 134.36 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.71 161.8 85.3 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.325 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.4 mt -82.73 127.04 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -103.59 149.11 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.05 -119.67 5.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.9 t -107.7 132.57 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' NH2' ' CE2' ' A' ' 22' ' ' PHE . 46.6 ttp85 -103.71 108.58 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.483 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 91.0 m95 -77.16 94.44 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -89.97 124.01 34.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.5 t -56.81 144.62 32.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -104.38 -36.01 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 11.2 t0 -65.19 -44.96 86.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -54.6 152.67 12.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.56 18.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.4 5.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -32.53 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.27 28.4 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.0 p -57.4 116.13 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 64' ' ' HIS . 12.1 mt -94.74 164.88 12.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.36 133.64 23.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.79 129.57 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.6 p -67.99 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.51 -37.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.55 96.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 73.1 m -96.58 22.24 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.483 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 54.9 p -71.77 -38.25 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -91.28 14.61 13.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 m -93.05 154.18 18.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.4 122.8 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 9.7 t60 -132.57 132.15 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -124.09 119.05 28.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 p -121.9 -175.25 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.21 -50.05 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 mt -100.38 -53.96 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CG ' HD13 ' A' ' 48' ' ' LEU . 42.5 t60 -58.48 154.75 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 37.7 mmtt -150.15 -179.63 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -78.51 -42.04 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -31.69 69.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 13.5 m170 -48.65 155.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -108.05 166.05 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.6 mt -126.11 148.42 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -114.62 115.57 44.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.75 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.8 mt -93.78 98.13 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.38 -51.58 55.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -85.19 113.71 21.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.76 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.33 -33.9 3.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -87.09 123.56 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 23.6 tttt -120.34 142.63 48.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.0 t -68.62 125.87 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 -5.24 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -88.47 -68.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.3 p -91.38 -43.64 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.48 26.52 4.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 tt -82.53 122.4 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 25.2 tt0 -152.14 136.25 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.1 Cg_endo -69.79 161.79 85.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -81.71 119.47 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.07 143.83 28.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -117.09 5.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.0 t -109.16 133.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -104.2 94.62 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 89.0 m95 -66.79 96.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.71 122.13 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.9 t -53.32 148.88 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.67 -40.4 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.71 -52.79 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.7 m -48.75 151.63 2.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.35 19.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.32 32.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -97.17 -38.92 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpt -103.74 32.17 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 p -61.91 134.83 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' A' ' 64' ' ' HIS . 47.0 mt -104.77 165.3 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -142.09 124.78 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CE1' HD21 ' A' ' 70' ' ' LEU . 50.0 m-85 -120.04 134.79 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.57 150.88 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.77 -33.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -66.91 -47.32 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 60.0 m -94.51 23.35 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.532 ' CB ' ' CD1' ' A' ' 37' ' ' TRP . 52.2 p -72.13 -38.79 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.9 15.75 14.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.97 164.22 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.56 108.98 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.604 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.4 t60 -120.75 129.85 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -125.2 124.19 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -126.83 -174.57 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -39.3 -50.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.64 -55.21 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 46.9 t60 -55.67 149.37 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -148.92 -179.63 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.38 -46.05 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.36 -38.06 62.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.1 m170 -43.19 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -111.82 165.88 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 50' ' ' PHE . 66.5 mt -127.9 142.61 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.06 117.17 50.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.644 0.735 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.75 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 91.5 mt -97.85 98.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.802 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -78.37 113.43 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.7 145.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.34 -35.4 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' ' NH1' ' A' ' 36' ' ' ARG . 24.0 m-85 -86.14 148.5 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -141.2 127.36 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.464 ' CB ' HG22 ' A' ' 29' ' ' ILE . 34.2 t -56.25 126.55 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.72 2.43 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.499 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.83 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.417 ' N ' HD21 ' A' ' 26' ' ' ASN . 26.3 p -89.18 -38.35 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.41 16.85 12.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG22 ' CB ' ' A' ' 24' ' ' CYS . 4.6 tt -70.32 115.67 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.3 tt0 -148.77 133.7 9.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.73 163.52 81.51 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.37 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -87.03 124.47 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.26 135.22 50.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.42 -121.94 7.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -107.1 122.35 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.512 ' NH1' ' CE1' ' A' ' 22' ' ' PHE . 44.4 ttp180 -96.12 96.94 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.5 m95 -68.35 95.38 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -89.46 124.35 34.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.3 t -57.75 142.2 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -99.72 -36.53 9.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 9.2 t0 -63.12 -55.82 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.2 m -45.0 153.35 0.51 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 166.85 26.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -2.07 9.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -109.56 -32.4 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.6 tpt -107.14 28.93 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -57.4 137.47 56.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.518 HD13 ' CG ' ' A' ' 64' ' ' HIS . 25.0 mt -107.11 164.65 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.38 124.66 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -124.18 125.92 45.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -70.32 148.7 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.25 -29.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.9 t -70.71 -44.33 67.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.499 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 67.6 m -95.02 17.42 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.561 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 64.9 p -69.03 -38.33 79.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -90.96 10.58 25.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.09 160.44 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.07 117.56 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.0 t60 -126.66 132.29 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.64 119.58 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 p -124.19 -176.13 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.4 -46.56 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.76 -53.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CG ' HD13 ' A' ' 48' ' ' LEU . 64.6 t60 -62.99 146.52 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 60.4 mmtt -143.38 178.23 7.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.01 -26.84 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.27 -25.81 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.9 m170 -53.78 158.17 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -106.54 163.18 13.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.1 148.2 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -116.9 114.48 39.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.5 Cg_endo -69.66 106.24 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 75' ' ' ARG . 63.6 mt -98.8 98.43 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.32 -39.06 89.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -79.19 115.49 18.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -93.37 138.63 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 -32.77 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.9 126.06 35.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 18.4 tttt -121.89 139.29 53.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.24 136.19 57.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -13.62 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.506 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.21 -60.75 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.71 -47.44 4.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.4 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 tt -75.62 122.68 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.5 tt0 -152.24 137.96 11.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.79 160.69 87.7 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 -1.817 . . . . 0.0 112.345 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.39 120.17 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.97 151.41 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.15 -118.7 5.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.28 127.09 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -97.72 104.06 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.454 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 91.3 m95 -73.52 99.19 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 8.7 t60 -94.55 121.99 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.7 t -55.02 145.48 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.5 -40.84 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.494 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 46.6 t0 -62.1 -55.71 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -44.35 152.31 0.51 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.77 26.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -5.44 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -105.16 -32.69 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 tpt -108.3 27.04 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 78.9 p -57.58 134.09 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 64' ' ' HIS . 15.9 mt -104.14 164.34 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.57 126.48 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -121.68 134.38 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.81 145.88 44.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.4 -35.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.55 -46.5 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 64.6 m -94.47 23.4 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.452 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 61.4 p -70.76 -36.77 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -93.63 14.91 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.81 157.39 17.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.74 118.76 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.466 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.5 t60 -128.41 132.94 48.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.52 118.71 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.0 p -121.16 -174.89 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -45.5 -43.52 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.6 mt -107.05 -52.61 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.512 ' CG ' HD12 ' A' ' 48' ' ' LEU . 49.6 t60 -59.68 148.7 32.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 38.3 mmtt -146.81 177.4 9.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.15 -38.21 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.8 -33.55 75.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.6 m170 -47.59 150.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -102.67 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.47 148.63 47.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.11 113.1 43.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.689 0.757 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.71 100.42 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.67 97.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -64.88 -56.12 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.3 mmt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -79.04 113.87 17.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -93.03 139.56 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.16 -32.04 6.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.18 123.92 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.3 tttp -117.45 146.47 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.6 t -70.73 137.37 49.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -17.0 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.496 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.7 t30 -77.07 -67.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 p -94.67 -49.66 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.41 28.34 2.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 tt -77.64 123.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 19.2 tt0 -151.55 133.47 8.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.72 161.08 86.82 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.347 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.02 121.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -97.04 151.48 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.76 -124.22 6.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.0 t -106.12 134.13 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -100.72 98.54 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.506 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 91.3 m95 -67.96 96.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -91.1 124.29 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.35 141.04 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -99.48 -35.26 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' CB ' ' CG ' ' A' ' 68' ' ' HIS . 1.2 m-20 -64.07 -54.88 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.7 m -46.38 150.83 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.71 169.52 18.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -12.19 32.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -101.68 -23.4 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.412 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 6.6 tpt -116.59 24.52 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.8 m -57.52 130.71 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' A' ' 64' ' ' HIS . 11.5 mt -103.64 164.05 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -141.03 127.14 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.21 132.38 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.45 144.81 46.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.14 -35.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.4 -46.33 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.496 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 85.0 m -93.34 22.69 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.506 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 59.1 p -70.72 -38.52 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.06 14.74 13.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.4 m -93.03 153.89 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.23 110.08 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -121.29 126.37 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.74 122.51 39.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.1 p -123.88 -175.6 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -40.84 -48.55 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mt -103.38 -53.68 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 24.5 t60 -58.61 148.45 28.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -147.51 -179.3 6.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.51 -32.78 48.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.76 -30.31 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' CG ' ' CB ' ' A' ' 41' ' ' ASP . 11.8 m170 -50.01 157.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -107.08 158.0 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.2 mt -121.29 148.03 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.02 114.08 43.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.3 Cg_endo -69.82 97.19 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.45 98.4 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -66.26 -53.09 40.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -87.27 113.42 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 21' ' ' GLY . 96.3 t -93.9 138.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.435 ' N ' HG11 ' A' ' 20' ' ' VAL . . . 100.17 -35.82 4.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.641 ' CZ ' ' NH2' ' A' ' 36' ' ' ARG . 84.6 m-85 -85.12 128.94 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.384 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -125.99 125.66 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.0 t -56.88 126.03 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -4.89 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -88.33 -68.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 p -91.03 -40.61 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.66 8.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.5 tt -73.89 117.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.513 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 20.6 tt0 -150.56 133.39 8.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.0 Cg_endo -69.79 162.79 83.47 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.361 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.88 129.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -107.42 135.94 48.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.94 -119.72 6.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.76 130.76 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' NH2' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 ttp85 -101.15 104.74 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.3 m95 -74.16 97.48 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 39' ' ' CYS . 5.4 t60 -91.31 122.92 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 38.1 t -58.52 144.58 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -98.99 -38.07 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.12 -56.44 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 m -46.33 149.93 1.24 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.66 33.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -99.03 -32.1 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.44 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 8.2 tpt -109.13 25.39 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m -59.46 139.44 57.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD13 ' CG ' ' A' ' 64' ' ' HIS . 52.9 mt -113.24 164.72 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.88 130.17 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.32 132.74 54.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.4 p -72.98 147.47 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -36.67 -34.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.23 -44.84 78.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 75.4 m -93.46 22.64 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 p -75.43 -28.25 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.13 10.34 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.06 153.23 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.06 113.23 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 17.3 t60 -123.57 124.92 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -118.9 118.62 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.5 p -117.65 -178.79 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -40.08 -44.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -106.57 -54.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 34.4 t60 -59.67 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -142.79 -175.19 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.62 -45.87 16.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -55.82 -31.99 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 10.6 m170 -45.26 161.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -111.9 158.27 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -120.97 150.11 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.03 113.78 39.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.78 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.4 mt -94.85 98.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -67.15 -48.97 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.813 0.339 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -81.85 113.42 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -96.16 132.35 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.38 -29.71 11.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 40.5 m-85 -93.68 143.68 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -135.72 141.74 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.98 127.66 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.95 10.34 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.9 t30 -104.92 -70.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.32 -44.21 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.25 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 tt -78.23 118.82 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -151.4 133.35 8.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.68 159.04 90.1 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.401 -0.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -81.7 114.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.72 132.01 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.89 -129.01 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.75 128.6 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.156 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.6 ttp180 -99.82 101.62 12.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.1 m95 -72.49 93.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 8.1 t60 -87.53 120.53 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 147.01 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -101.93 -40.04 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.499 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.4 m-20 -60.61 -54.43 45.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -46.32 151.84 0.92 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 167.31 24.88 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.93 13.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.25 -32.99 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tpt -107.96 31.04 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 74.4 p -59.46 140.31 56.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 64' ' ' HIS . 29.5 mt -109.08 165.02 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 127.13 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -125.14 132.38 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -73.11 145.29 46.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -36.09 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.4 t -66.78 -45.6 77.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 68.1 m -95.48 23.09 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.404 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 51.0 p -70.03 -37.77 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -92.13 14.8 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.16 155.44 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 tp -116.29 116.02 27.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.0 t60 -125.99 127.08 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -117.15 118.7 33.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -120.38 -177.08 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -40.27 -50.86 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.89 -51.6 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -60.0 145.95 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -142.73 -175.31 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.12 -27.23 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.72 -24.21 60.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.5 m170 -57.4 158.15 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -107.22 165.46 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.98 142.99 51.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -111.17 115.45 52.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.8 Cg_endo -69.79 107.47 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 75' ' ' ARG . 59.3 mt -100.58 99.31 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.04 -41.13 82.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 78.6 mtp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.89 113.59 22.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -90.4 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.03 -35.95 3.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 18.5 m-85 -86.54 133.23 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.4 tttt -126.6 142.26 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 53.5 t -64.21 129.01 38.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.82 22.78 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.64 -62.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.0 p -95.72 -40.83 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.0 31.91 3.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 tt -89.77 122.33 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.3 tt0 -152.21 136.98 10.62 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.76 163.46 81.77 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.365 -0.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD13 ' C ' ' A' ' 23' ' ' LYS . 72.3 mt -85.38 115.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.04 143.76 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.84 -118.76 6.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -112.22 124.74 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.1 ttp180 -95.78 105.64 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.1 m95 -76.01 94.89 3.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 7.0 t60 -89.43 121.49 31.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.14 147.42 12.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -102.0 -40.81 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.1 -53.96 51.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.5 m -47.27 151.25 1.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.96 11.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -105.91 -38.59 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 tpt -104.58 32.94 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 81.9 p -61.65 137.59 58.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -106.22 164.85 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.26 121.07 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -117.89 133.05 56.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.8 p -70.83 151.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -37.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.33 -43.21 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.0 m -98.24 24.35 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.561 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 85.0 p -71.97 -37.7 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -91.27 15.58 11.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.3 m -90.77 155.3 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 tp -116.52 114.95 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.2 t60 -125.4 131.27 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 65' ' ' LYS . 17.0 mt-10 -125.43 123.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -126.78 -174.23 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -41.15 -45.82 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.32 -56.34 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 32.1 t60 -58.44 145.42 38.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' C ' ' HG2' ' A' ' 60' ' ' GLU . 23.2 mmtp -140.93 -176.37 4.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.78 -36.16 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.83 -34.04 77.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.7 m170 -46.2 157.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -110.14 166.07 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.1 mt -125.64 145.17 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -111.9 116.33 49.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.753 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.71 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 75' ' ' ARG . 74.0 mt -95.44 98.69 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.6 -50.16 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 16.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.824 0.345 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.41 ' NE2' ' O ' ' A' ' 34' ' ' GLY . 24.4 m-70 -87.07 113.5 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.45 139.33 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 -33.11 6.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -87.49 133.79 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -130.81 120.51 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.73 130.88 33.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.69 -11.17 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.462 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -81.97 -68.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.3 p -91.4 -46.85 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.15 20.5 5.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -70.61 117.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 16.5 tt0 -152.08 131.17 6.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.9 Cg_endo -69.72 160.01 88.61 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.37 132.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -111.36 140.39 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' HIS . . . 97.23 -118.62 6.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -114.13 127.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH2' HD11 ' A' ' 73' ' ' ILE . 19.4 ttp-105 -98.59 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.4 m95 -77.83 93.94 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -86.89 123.12 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.4 t -55.57 145.63 22.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.85 -37.55 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.36 -54.72 32.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.3 m -46.73 151.74 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.96 22.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -9.12 25.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.11 -36.07 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.3 tpt -105.96 29.97 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -57.88 140.16 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.514 HD11 ' CG ' ' A' ' 64' ' ' HIS . 16.4 mt -110.12 164.99 12.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -142.7 131.91 23.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -130.55 126.08 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -67.51 148.18 51.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.6 -37.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -43.27 98.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' CYS . 83.3 m -96.03 20.02 10.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.1 p -70.42 -37.26 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.52 13.36 15.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.9 154.99 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -116.55 116.21 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 19.7 t60 -125.87 131.28 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.7 119.37 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.2 p -120.65 -174.44 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -42.79 -48.93 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mt -101.49 -56.53 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 37.6 t60 -55.2 153.2 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -150.67 -178.49 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.53 -38.47 40.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.87 -34.15 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -45.36 164.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.25 165.87 12.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -127.48 147.12 50.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.88 115.16 41.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.77 102.87 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.414 HD11 ' NH2' ' A' ' 36' ' ' ARG . 64.3 mt -95.39 98.69 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -65.5 -57.03 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.34 114.08 17.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 21' ' ' GLY . 62.8 t -94.66 144.09 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 20' ' ' VAL . . . 92.94 -35.18 4.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -87.67 131.64 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.933 0.397 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 16.2 tttt -123.27 141.95 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.25 130.58 44.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.11 23.11 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -121.16 -62.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.92 -40.42 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.51 32.54 3.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 tt -89.25 121.52 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 21.3 tt0 -152.31 136.2 9.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.05 84.85 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.343 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.1 mt -82.63 120.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.62 137.62 42.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.65 -118.29 6.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.65 124.64 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 ttp85 -95.13 103.31 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.2 m95 -74.36 97.39 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 5.7 t60 -91.97 119.19 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -51.21 148.77 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -103.12 -41.13 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.5 -52.72 64.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -49.16 151.51 2.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -11.17 30.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -98.64 -38.06 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpt -103.91 33.7 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 90.2 p -62.62 135.71 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 64' ' ' HIS . 25.4 mt -105.02 165.43 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.08 126.69 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CE2' HD22 ' A' ' 70' ' ' LEU . 68.4 m-85 -123.56 132.11 53.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -70.09 150.24 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -40.05 -32.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -68.41 -43.34 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.4 m -96.98 24.29 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 58.0 p -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.43 16.42 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.33 154.47 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 tp -114.72 114.73 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 41.4 t60 -125.33 130.26 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 66' ' ' GLU . 12.2 mt-10 -122.94 123.21 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.2 p -126.09 -177.01 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -39.05 -48.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -105.11 -53.64 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -58.95 146.38 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -142.5 179.39 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' GLU . 17.3 pt-20 -75.5 -39.93 57.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -60.55 -35.39 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.0 m170 -43.68 160.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -111.18 164.96 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 50' ' ' PHE . 80.9 mt -125.88 143.48 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -109.97 115.81 54.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.442 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.0 mt -96.28 98.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.37 -50.12 66.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 22.2 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -165.7 144.14 6.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 110.819 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -173.86 129.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 159.88 24.19 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -140.34 159.84 41.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -168.79 155.26 6.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.2 -141.32 11.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -128.27 83.93 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -172.03 138.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.2 ptt? 38.25 36.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -73.44 -52.55 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 86.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' SER . 5.1 tp10 -170.53 158.12 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' GLU . 42.4 t -35.16 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.56 -44.2 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -148.09 152.67 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG13 ' NE2' ' A' ' 19' ' ' HIS . 70.8 t -64.7 132.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -106.14 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.417 ' NE2' HG13 ' A' ' 17' ' ' VAL . 60.4 m-70 -87.17 113.5 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -93.26 139.26 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.32 -31.98 6.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.91 121.76 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 16.5 tttt -117.63 142.73 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.2 t -65.45 125.18 24.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 22.57 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -120.44 -60.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.6 p -97.97 -39.05 9.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.01 29.92 4.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.8 tt -88.14 121.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.5 tt0 -152.14 138.07 11.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.72 161.82 85.28 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.38 -0.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -82.62 119.27 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -97.66 151.65 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.38 -121.1 5.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.1 t -104.79 133.13 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -104.76 99.99 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 89.3 m95 -69.1 100.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -95.34 121.91 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -54.86 145.23 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -100.66 -40.43 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 12.5 t0 -60.88 -53.9 51.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -48.19 152.14 1.59 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.09 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.96 36.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.393 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -95.12 -39.23 10.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.3 tpt -102.02 29.16 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.3 p -60.55 131.78 51.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 20.4 mt -102.36 164.74 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.18 125.12 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE2' HD22 ' A' ' 70' ' ' LEU . 59.2 m-85 -119.44 141.01 49.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' CYS . 26.5 p -76.35 148.58 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -35.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.61 -43.07 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.2 m -97.92 24.25 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 59.6 p -74.87 -30.12 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -96.85 11.56 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.2 160.31 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.21 116.69 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 64.3 t60 -124.05 133.0 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -125.13 118.65 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.406 ' CG2' ' CD2' ' A' ' 59' ' ' HIS . 7.0 p -123.11 -174.12 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -42.77 -47.65 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mt -103.71 -56.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' CG ' HD12 ' A' ' 48' ' ' LEU . 50.3 t60 -56.55 146.07 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmtt -143.45 -179.94 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.29 -34.13 59.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.4 -33.87 76.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.513 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.1 m170 -47.54 158.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -112.79 162.39 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 HD22 ' CE2' ' A' ' 50' ' ' PHE . 64.0 mt -123.24 143.62 49.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -110.35 116.96 52.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.6 Cg_endo -69.75 100.05 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -93.07 97.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.22 -63.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -111.53 151.69 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 t -85.6 126.84 34.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -108.05 121.13 44.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.1 -164.17 9.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.8 14.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 t 51.96 41.39 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.2 p -41.78 158.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.494 -179.959 . . . . . . . . 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 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -93.75 106.93 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -90.98 134.74 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.94 57.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -103.13 144.51 31.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -139.22 141.65 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' CA ' ' HE1' ' A' ' 10' ' ' MET . . . 160.98 75.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' GLN . 10.6 pt20 -127.1 170.11 12.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLN . 75.4 mm-40 36.13 43.55 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.403 ' HE1' ' CA ' ' A' ' 7' ' ' GLY . 13.9 ptp -102.71 41.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -161.62 150.09 15.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.36 16.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -81.47 141.3 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 t -133.22 103.04 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 16' ' ' PHE . . . 89.11 -117.26 4.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 18.8 m-85 -147.66 156.21 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG11 ' CE1' ' A' ' 19' ' ' HIS . 58.1 t -95.45 140.69 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.84 99.6 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' CE1' HG11 ' A' ' 17' ' ' VAL . 27.4 m-70 -83.1 113.5 20.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.49 148.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.27 -33.74 4.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -90.53 130.92 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.0 tttp -122.91 145.29 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -68.37 146.26 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.31 -20.13 17.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.503 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -75.98 -57.82 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.49 -46.82 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 114.78 20.62 5.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.7 tt -69.63 122.56 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.1 tt0 -151.9 133.19 7.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.75 161.38 86.28 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.347 -0.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -81.76 117.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 31' ' ' PRO . 1.7 mp0 -96.39 133.23 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.16 -118.49 5.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG21 ' CD1' ' A' ' 74' ' ' TYR . 88.1 t -118.9 126.39 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NH2' HD13 ' A' ' 73' ' ' ILE . 21.4 ttp-105 -92.71 110.2 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.4 m95 -77.92 95.38 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -87.05 121.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 t -57.44 144.26 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.05 -37.53 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' CB ' ' CG ' ' A' ' 68' ' ' HIS . 2.2 m-20 -62.42 -52.01 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.6 m -49.55 151.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.18 19.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -7.11 20.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -104.96 -28.73 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 11.4 tpt -110.44 28.75 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.7 p -57.6 131.01 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 64' ' ' HIS . 11.4 mt -102.39 164.5 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.08 127.23 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -126.85 124.35 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -65.61 144.99 56.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.35 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.35 -46.92 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.503 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.2 m -90.62 21.13 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 90.3 p -72.98 -34.72 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.27 8.28 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.8 m -89.69 159.13 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.01 115.12 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 26.2 t60 -126.49 128.28 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.82 122.05 38.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 p -121.4 -175.45 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -42.24 -46.76 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.41 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 20.8 mt -103.95 -54.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 21.3 t60 -57.32 150.95 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -149.73 -179.32 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.68 -29.74 40.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -24.6 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.475 ' CG ' ' CB ' ' A' ' 41' ' ' ASP . 11.3 m170 -55.82 161.05 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.51 165.05 11.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -129.24 146.97 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -114.3 115.93 44.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.472 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.1 Cg_endo -69.79 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 HD13 ' NH2' ' A' ' 36' ' ' ARG . 53.0 mt -94.4 98.33 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' VAL . 4.1 m-85 -66.72 -50.64 62.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -114.22 153.56 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -66.54 124.33 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.8 p -99.48 43.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.58 150.47 16.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.16 6.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -110.96 160.34 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 m -70.21 105.71 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.447 -179.954 . . . . . . . . 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 -0.333 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -76.74 154.17 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -162.74 154.99 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.82 140.28 7.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -101.03 -33.28 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -169.59 159.46 8.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.91 52.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' GLN . 6.7 pt20 37.4 41.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 40.5 mmm -127.38 88.0 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -164.28 142.43 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.92 108.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' SER . 8.4 tp10 -170.41 167.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLU . 2.1 t -35.65 126.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.82 -53.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -143.95 168.5 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -82.75 126.13 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -98.26 100.39 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -80.63 113.55 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.46 135.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.9 -27.63 19.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 21.4 tttt -121.65 143.21 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -69.93 141.94 53.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.03 -14.66 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.498 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.89 -55.14 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.0 p -104.42 -46.23 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.15 24.13 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG21 ' CB ' ' A' ' 24' ' ' CYS . 6.2 tt -76.3 125.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.2 tt0 -151.87 132.26 7.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.69 164.7 78.33 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.388 -0.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.7 124.25 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -99.32 144.04 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.8 -123.01 6.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.82 136.65 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -103.54 97.58 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.525 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 92.8 m95 -67.47 98.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.25 121.97 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 t -54.22 146.35 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -101.06 -40.75 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 5.2 t0 -63.62 -54.81 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -44.87 152.29 0.57 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.14 25.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -9.08 25.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -100.88 -38.51 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.9 tpt -102.97 25.81 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -58.04 129.73 43.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 64' ' ' HIS . 8.6 mt -98.56 162.95 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -140.7 129.08 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -125.42 131.69 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.4 p -71.14 145.62 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -37.03 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 t -70.97 -45.36 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.498 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 82.9 m -94.21 22.95 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.525 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 47.1 p -72.26 -38.62 68.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.09 11.39 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.0 154.52 18.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.15 116.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 15.6 t60 -124.71 130.1 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -122.64 118.69 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 p -121.19 -176.46 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -43.06 -45.32 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.6 mt -104.92 -51.02 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 22.5 t60 -60.35 149.71 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -149.04 179.13 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.99 -38.41 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.73 -29.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 41' ' ' ASP . 14.7 m170 -53.07 152.88 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -104.35 165.24 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -125.48 148.67 48.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -114.63 114.11 44.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.74 101.51 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -94.78 98.09 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.57 -46.08 73.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.06 148.42 43.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -64.71 110.14 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.5 p -100.13 153.23 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.81 -150.17 26.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 123.76 10.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.1 m -96.75 125.52 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' GLY . 8.7 t -66.6 130.41 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 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 1.452 -0.285 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -73.81 171.99 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -163.36 152.42 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.58 175.5 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -108.08 154.89 21.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -78.76 -44.98 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.82 -179.89 21.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -92.68 111.37 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -128.02 -43.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 ttt -63.81 96.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -86.53 113.67 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.89 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -109.36 118.94 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.7 p -70.43 120.68 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.3 -68.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.77 158.8 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 18' ' ' GLN . 79.4 t -100.45 138.02 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 17' ' ' VAL . 2.3 pt20 -112.49 112.33 23.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.95 113.56 25.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.8 t -94.15 132.87 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.3 -32.26 7.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 36' ' ' ARG . 60.6 m-85 -91.45 124.34 35.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.7 tttp -117.25 145.98 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.0 t -69.89 140.81 53.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.1 -17.28 22.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -76.79 -59.03 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.9 p -102.38 -48.85 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 116.5 26.54 3.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.22 126.45 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.6 tt0 -151.77 134.21 8.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.79 166.94 72.83 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.332 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -86.0 114.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.34 145.81 24.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.85 -124.52 7.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 74' ' ' TYR . 78.0 t -105.5 134.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 22' ' ' PHE . 36.8 ttp85 -101.25 97.36 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 89.2 m95 -67.33 96.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 39' ' ' CYS . 4.9 t60 -91.56 123.9 35.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 30.9 t -56.43 143.38 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -101.48 -33.9 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 45.5 t0 -66.67 -55.93 12.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.4 m -44.52 151.44 0.59 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.12 22.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.96 -26.72 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 tpt -114.33 27.1 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 m -57.23 136.97 56.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 64' ' ' HIS . 22.6 mt -110.26 164.96 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -143.52 128.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -122.59 134.34 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -72.36 145.13 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.79 -33.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.2 t -66.25 -45.92 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 78.6 m -94.03 22.73 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.543 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.5 p -71.15 -39.62 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.09 14.74 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.9 m -92.84 154.91 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 tp -115.93 111.28 20.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 20.9 t60 -119.91 131.1 55.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -124.84 118.52 26.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.4 p -122.77 -174.64 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -41.83 -49.13 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.52 -56.3 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 61.5 t60 -58.56 149.01 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -147.18 -177.64 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -76.77 -40.57 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.14 -35.46 73.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 14.8 m170 -46.48 153.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.86 164.58 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.12 143.75 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -112.08 114.9 50.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.78 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.3 mt -94.69 98.38 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CD1' HG21 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.41 -47.69 72.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -118.81 147.51 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' SER . 93.1 p -58.74 113.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' SER . 94.8 p 36.27 40.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -136.93 84.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 116.21 4.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.343 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.9 t -81.34 106.42 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' GLY . 88.4 p -111.85 96.57 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 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 1.45 -0.387 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -81.5 96.21 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -60.12 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.68 -128.54 36.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -113.93 132.96 55.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.82 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -134.22 127.88 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.37 174.18 13.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -128.16 151.71 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.81 -39.8 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -86.4 50.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -100.93 -55.01 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 155.43 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' SER . 6.0 mm-40 -69.14 168.98 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLU . 55.2 m -37.49 -57.1 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.14 -60.88 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.31 152.23 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG12 ' CE1' ' A' ' 19' ' ' HIS . 89.7 t -76.75 126.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -97.42 101.01 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' CE1' HG12 ' A' ' 17' ' ' VAL . 46.1 m-70 -85.66 113.59 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 21' ' ' GLY . 68.6 t -94.25 139.67 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 20' ' ' VAL . . . 96.76 -24.85 29.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -101.45 127.65 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 7.5 tttp -118.99 144.08 46.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.5 t -67.31 136.84 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -89.98 -14.81 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -79.99 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.0 p -96.1 -48.01 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.92 19.25 4.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 tt -70.76 123.46 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 24.0 tt0 -152.0 134.52 8.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.72 163.23 82.26 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.385 -0.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -83.44 121.11 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.12 149.97 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . 83.54 -119.56 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -106.05 136.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -105.08 94.3 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.523 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 91.7 m95 -65.78 95.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -92.46 121.99 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.49 146.97 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.86 -34.95 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 42.5 t0 -66.43 -52.69 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -46.96 152.89 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.85 27.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.33 -34.8 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 tpt -105.01 29.7 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -58.04 133.89 55.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.1 mt -105.2 165.06 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.38 130.85 18.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.78 134.96 49.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.6 p -72.95 143.88 47.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -34.02 -34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -65.2 -48.21 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 86.2 m -90.41 22.61 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.523 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 53.0 p -72.65 -27.42 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -100.93 10.41 41.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.2 m -90.19 155.51 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.33 119.63 36.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -128.35 133.53 48.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.06 118.55 26.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.5 p -121.44 -175.11 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -44.03 -45.8 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.4 mt -105.28 -54.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.524 ' CG ' HD12 ' A' ' 48' ' ' LEU . 68.4 t60 -60.33 143.49 52.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -139.74 -176.23 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.62 -26.32 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.17 -22.73 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 15.0 m170 -57.63 153.75 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -104.45 160.88 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.22 148.54 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.31 115.21 42.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.664 0.745 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.79 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.32 98.31 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.99 -50.7 65.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -113.55 151.57 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -59.67 139.0 57.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -78.74 51.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.53 153.95 20.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 86.78 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -107.28 177.09 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.4 p -47.0 144.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.486 179.999 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -60.52 117.47 5.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -168.72 177.43 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.83 104.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -91.81 93.05 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -135.0 153.7 51.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.06 51.73 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.5 122.15 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -81.38 114.11 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 ptp -153.36 124.12 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -176.8 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 67.87 47.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -82.18 75.44 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -175.0 177.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.796 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.11 -147.44 19.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -143.63 176.82 8.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 83.9 t -111.29 129.27 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -113.56 104.26 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.87 113.51 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -90.31 135.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.44 -32.47 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' NE ' ' A' ' 36' ' ' ARG . 37.0 m-85 -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.5 tttp -117.2 147.6 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.9 t -70.19 131.62 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.67 27.04 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -128.79 -62.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.63 -34.95 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.85 30.82 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 tt -86.14 123.83 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.4 tt0 -151.89 133.71 8.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.8 165.35 76.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.348 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.4 mt -83.78 121.66 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.464 ' NE2' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mp0 -99.73 141.82 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.86 -122.58 7.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.0 t -108.5 128.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' NE ' ' CG ' ' A' ' 22' ' ' PHE . 28.3 ttp85 -96.75 108.26 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.448 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.9 m95 -77.97 91.93 4.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -85.72 118.47 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -52.2 148.15 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -102.93 -40.47 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -62.29 -56.2 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 150.63 0.41 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 169.29 19.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.61 29.0 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.14 -28.97 11.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.0 tpt -111.93 23.16 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 m -57.38 128.64 38.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' CG ' ' A' ' 64' ' ' HIS . 13.9 mt -101.15 165.06 11.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.92 128.33 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -120.71 145.74 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' CYS . 24.5 p -76.98 149.82 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -37.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 t -64.53 -41.56 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 76.6 m -98.06 23.31 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.437 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 53.9 p -73.92 -35.41 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.46 14.66 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -92.47 154.76 18.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -115.53 110.53 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.0 t60 -125.28 123.8 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -118.77 120.81 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -119.6 -174.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -39.66 -49.75 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.6 mt -102.5 -56.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 14.9 t60 -53.46 153.0 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -153.33 178.94 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.11 -38.18 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -61.7 -34.73 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.7 m170 -46.89 156.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -107.18 165.39 11.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.7 143.86 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.95 113.06 57.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.68 99.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 58.8 mt -93.49 98.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.7 -48.87 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -118.26 156.73 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 t -79.48 102.73 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -96.72 139.69 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -159.41 28.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.62 8.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.3 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -133.81 169.15 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -153.28 140.19 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.489 -179.968 . . . . . . . . 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 -0.341 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -145.8 116.47 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -149.43 149.6 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.98 89.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -127.54 107.78 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -90.55 168.35 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 69.43 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -80.61 165.08 22.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.64 134.56 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.2 ttm -168.31 118.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.83 160.46 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.61 168.68 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -45.67 129.39 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -44.33 -48.74 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.49 -66.31 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -131.98 160.71 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.67 131.25 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -104.09 101.31 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -84.79 113.47 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.97 132.04 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.64 -33.61 6.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -87.98 141.87 28.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -134.2 142.95 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.68 130.39 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.84 18.71 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.2 t30 -117.46 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.09 -29.62 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.9 30.47 8.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.7 tt -85.41 122.24 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.9 tt0 -152.17 134.08 8.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.4 Cg_endo -69.81 163.44 81.94 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.373 0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -82.2 125.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -103.28 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.6 -125.02 6.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 74' ' ' TYR . 69.8 t -108.02 123.04 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -90.6 111.29 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.535 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.6 m95 -81.13 96.41 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 7.6 t60 -89.69 119.23 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.3 t -52.56 148.76 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -105.62 -39.96 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.74 -49.68 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.28 152.82 5.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.38 24.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.93 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.45 -28.87 7.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 tpt -110.28 30.38 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 91.0 p -60.46 141.94 55.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -112.03 164.92 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -139.81 131.18 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -132.16 128.35 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.8 p -68.85 146.9 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.1 -33.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 5.1 t -67.98 -47.0 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 61.4 m -94.78 23.97 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.514 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.4 p -73.29 -37.08 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.09 15.7 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.86 162.97 18.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -120.42 109.39 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.587 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 35.5 t60 -122.05 127.08 49.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -124.14 120.37 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -123.81 -175.62 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -42.12 -42.22 2.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.6 mt -109.25 -51.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 23.8 t60 -61.17 151.24 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 42.6 mmtt -150.84 177.26 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -72.28 -42.17 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.96 -32.81 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 10.3 m170 -47.81 151.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -101.87 166.34 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.0 mt -129.68 141.64 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -108.09 114.23 59.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.535 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.3 Cg_endo -69.73 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt -94.9 99.16 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.475 ' CD1' HG21 ' A' ' 35' ' ' VAL . 3.8 m-85 -67.44 -55.3 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -112.76 161.68 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 t -92.28 90.15 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -76.58 120.07 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.03 176.73 31.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.32 9.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.5 t -76.46 97.23 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -83.59 107.46 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.491 -179.948 . . . . . . . . 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 -0.352 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -106.53 144.55 33.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -81.57 44.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.77 -112.91 3.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m 56.31 41.62 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -65.4 144.05 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.7 94.08 0.49 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -150.49 151.06 32.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.73 85.87 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.21 149.57 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -109.28 126.01 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.22 152.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -101.22 88.54 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -143.29 160.03 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.81 -95.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -110.36 172.01 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG13 ' NE2' ' A' ' 19' ' ' HIS . 45.7 t -112.4 137.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -110.4 100.73 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.403 ' NE2' HG13 ' A' ' 17' ' ' VAL . 68.1 m-70 -87.22 113.4 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.16 133.06 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.48 -31.87 8.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -91.87 120.37 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.9 tttt -115.28 139.18 50.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.97 127.5 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -89.6 23.62 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.3 t30 -122.3 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.12 -39.08 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 30.63 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 tt -89.55 120.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.179 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.7 tt0 -152.37 138.8 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.47 83.97 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.87 113.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -98.6 115.41 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.79 -122.98 4.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.8 124.76 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -93.2 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.9 m95 -81.75 96.68 7.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -88.6 122.96 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.9 t -60.45 145.24 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -97.42 -38.26 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.478 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -62.74 -51.33 67.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -51.31 150.04 6.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 45' ' ' GLU . 53.9 Cg_endo -69.71 168.03 22.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 43' ' ' PRO . 10.0 pm0 -104.69 -32.28 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 tpt -108.55 31.71 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -58.43 149.41 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 64' ' ' HIS . 34.2 mt -120.08 164.64 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 2.3 p-10 -142.05 126.47 17.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -122.67 131.26 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' CYS . 25.4 p -69.93 144.79 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -35.56 -37.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.17 -45.72 87.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 73.1 m -93.72 20.52 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.511 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 27.7 p -69.49 -39.14 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -92.3 13.3 19.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.26 164.27 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 tp -120.55 111.52 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -123.48 128.15 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -119.5 126.8 52.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -126.69 -178.62 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -41.25 -47.02 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.8 mt -105.58 -50.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 48.5 t60 -61.19 151.08 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 33.2 mmtt -146.61 -175.59 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -78.87 -45.26 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -36.13 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 11.1 m170 -41.76 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -107.34 164.17 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -128.24 146.95 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -116.09 114.51 41.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.4 Cg_endo -69.73 101.69 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.632 2.222 . . . . 0.0 112.397 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.0 mt -95.18 101.9 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.7 -51.85 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 1.5 mpt_? -118.97 149.14 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' SER . 10.2 t -87.34 93.53 9.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' SER . 1.1 t -35.19 -63.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.55 90.49 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 173.79 10.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 t -144.17 119.45 10.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -169.66 177.45 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.498 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -102.5 126.97 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -49.84 -38.92 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.47 -175.92 50.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -127.54 129.39 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -124.45 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.46 172.15 18.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -148.77 170.19 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' MET . 9.5 tp60 -160.36 141.62 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -35.96 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -163.51 122.76 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.72 127.22 32.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -141.69 139.52 32.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.3 m -61.87 -49.01 77.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.94 -100.35 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -136.63 151.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 18' ' ' GLN . 64.4 t -75.33 135.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -111.05 100.22 8.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -79.26 113.38 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.5 145.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.4 -35.4 4.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -86.46 154.76 20.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 9.7 tttp -147.95 141.99 25.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -67.12 126.38 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.17 -8.2 59.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.47 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -85.39 -69.54 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.0 p -90.96 -47.15 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.74 29.86 2.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 tt -82.31 120.64 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -150.49 136.51 10.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.743 . . . . 0.0 110.853 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.81 158.09 91.52 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.369 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.408 HD12 ' CA ' ' A' ' 23' ' ' LYS . 81.6 mt -83.99 119.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.18 141.18 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.64 -120.31 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.37 117.78 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -87.91 101.91 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.8 m95 -74.44 96.59 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -92.27 120.25 32.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.5 t -50.36 149.82 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -107.5 -38.56 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.3 m-20 -62.84 -50.94 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.0 m -49.94 150.9 3.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.6 18.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.6 4.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -111.84 -34.47 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.47 ' CG ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -103.35 24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.9 p -57.26 132.55 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 HD13 ' CG ' ' A' ' 64' ' ' HIS . 29.8 mt -111.96 163.97 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.5 129.71 31.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.97 132.61 54.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.2 p -73.86 145.65 44.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.63 -35.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -64.67 -45.97 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 69.8 m -94.81 22.58 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.3 p -69.42 -37.88 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.65 15.48 19.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.63 164.63 15.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.2 tp -120.63 109.41 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -125.43 118.65 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -113.8 125.16 53.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.8 p -122.25 -174.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.3 -49.97 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HD13 ' CG ' ' A' ' 46' ' ' MET . 42.5 mt -104.67 -54.24 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 13.6 t60 -52.04 154.03 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 31.4 mmtt -153.08 176.96 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.75 -43.94 57.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.3 -34.99 67.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 12.9 m170 -46.46 161.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.88 166.87 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.3 mt -129.55 142.22 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -109.14 114.11 58.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.78 101.88 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.91 98.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -65.68 -48.15 73.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -123.67 147.29 47.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.1 t -64.64 139.08 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.2 p -43.27 -62.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.27 -72.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -46.1 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -51.8 -43.6 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -53.81 -62.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.495 -179.979 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -64.26 139.35 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -149.79 157.87 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.77 170.66 25.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -145.63 152.3 39.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -164.91 114.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 151.11 6.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 152.38 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -119.03 -44.32 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.9 ttt -130.17 126.21 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -51.48 164.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.27 40.61 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.06 -59.67 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -151.6 140.14 20.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.48 -46.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.9 147.64 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -91.45 144.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.99 99.56 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -82.1 113.48 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 21' ' ' GLY . 69.4 t -95.76 137.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' HG13 ' A' ' 20' ' ' VAL . . . 102.22 -35.11 5.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.34 128.89 35.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -122.04 129.46 52.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' CB ' HG22 ' A' ' 29' ' ' ILE . 47.0 t -57.44 124.86 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.17 13.16 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -110.43 -69.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 p -90.66 -26.25 19.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 21.95 31.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' ' 24' ' ' CYS . 5.5 tt -76.95 116.25 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.1 tt0 -148.76 135.72 10.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.7 163.22 82.23 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.42 127.91 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -105.19 150.38 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.5 -120.58 5.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.68 130.19 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 49.1 ttp85 -100.56 99.8 10.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 87.8 m95 -68.62 97.81 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -92.96 123.75 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -55.14 143.47 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -101.1 -36.61 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 31.3 t0 -64.04 -55.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 m -43.44 153.86 0.36 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.31 28.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.34 8.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -110.2 -33.39 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.9 tpt -106.85 29.87 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 p -57.94 139.05 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' A' ' 64' ' ' HIS . 21.5 mt -110.5 164.87 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -143.96 127.43 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.0 138.23 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' CYS . 19.6 p -73.53 148.25 43.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.82 -34.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 t -66.58 -41.21 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 77.3 m -98.18 22.8 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 69.0 p -69.9 -40.23 75.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.07 15.32 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.2 m -91.15 155.94 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -117.41 113.17 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.4 t60 -123.35 131.81 53.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.27 118.59 26.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.9 p -121.48 -174.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -50.79 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.9 mt -101.07 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 59.7 t60 -58.2 147.38 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 22.7 mmtp -143.8 -176.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -77.59 -41.79 37.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -34.9 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.7 m170 -46.21 153.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -106.34 164.6 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -125.03 147.99 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.49 115.38 42.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.2 Cg_endo -69.76 99.84 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.89 99.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.31 -45.12 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -120.11 146.35 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -73.36 137.43 44.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -67.77 172.83 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.05 -155.67 16.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -5.45 16.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -85.52 41.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.9 p -100.3 43.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.51 -179.998 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -85.05 124.5 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -47.86 150.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -174.46 14.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -113.47 118.06 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -99.53 154.97 17.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.88 139.7 3.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.51 151.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -131.62 171.86 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 91.0 mtp -90.36 89.77 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -158.73 170.14 22.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.45 133.8 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -156.27 168.23 27.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 t -88.59 129.83 35.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.18 -64.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -128.41 152.12 48.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.1 t -100.97 132.49 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -108.29 100.04 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -77.65 115.09 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 21' ' ' GLY . 64.5 t -92.18 136.2 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 20' ' ' VAL . . . 101.89 -35.55 4.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' NH2' ' A' ' 36' ' ' ARG . 93.0 m-85 -85.82 133.74 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -129.17 128.28 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.34 124.25 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.74 3.05 30.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.06 -69.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 p -91.56 -34.44 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.62 20.14 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.5 tt -74.73 115.86 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -149.01 134.36 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.71 161.8 85.3 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.325 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.4 mt -82.73 127.04 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -103.59 149.11 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.05 -119.67 5.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.9 t -107.7 132.57 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' NH2' ' CE2' ' A' ' 22' ' ' PHE . 46.6 ttp85 -103.71 108.58 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.483 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 91.0 m95 -77.16 94.44 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -89.97 124.01 34.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.5 t -56.81 144.62 32.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -104.38 -36.01 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 11.2 t0 -65.19 -44.96 86.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -54.6 152.67 12.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.56 18.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.4 5.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -32.53 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.27 28.4 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.0 p -57.4 116.13 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 64' ' ' HIS . 12.1 mt -94.74 164.88 12.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.36 133.64 23.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.79 129.57 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.6 p -67.99 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.51 -37.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.55 96.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 73.1 m -96.58 22.24 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.483 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 54.9 p -71.77 -38.25 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -91.28 14.61 13.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 m -93.05 154.18 18.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.4 122.8 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 9.7 t60 -132.57 132.15 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -124.09 119.05 28.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 p -121.9 -175.25 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.21 -50.05 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 mt -100.38 -53.96 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CG ' HD13 ' A' ' 48' ' ' LEU . 42.5 t60 -58.48 154.75 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 37.7 mmtt -150.15 -179.63 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -78.51 -42.04 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -31.69 69.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 13.5 m170 -48.65 155.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -108.05 166.05 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.6 mt -126.11 148.42 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -114.62 115.57 44.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.75 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.8 mt -93.78 98.13 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.38 -51.58 55.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -119.4 140.78 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 141.65 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -92.9 149.31 21.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.56 -173.89 34.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.78 13.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.9 p -122.65 93.37 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -117.17 90.77 3.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.488 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -45.93 -45.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -79.97 136.0 36.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.64 159.98 13.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -46.4 122.89 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -90.28 -58.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.61 173.99 45.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.82 140.36 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.71 0.291 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -82.36 149.79 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 71.5 mmm -115.28 106.43 14.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -30.06 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.84 135.35 34.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -84.46 -44.42 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -97.78 146.37 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.74 -66.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -140.24 155.5 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG13 ' CE1' ' A' ' 19' ' ' HIS . 95.9 t -80.27 124.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.83 99.54 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' CE1' HG13 ' A' ' 17' ' ' VAL . 37.7 m-70 -85.19 113.71 21.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.76 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.33 -33.9 3.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -87.09 123.56 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 23.6 tttt -120.34 142.63 48.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.0 t -68.62 125.87 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 -5.24 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -88.47 -68.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.3 p -91.38 -43.64 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.48 26.52 4.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 tt -82.53 122.4 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 25.2 tt0 -152.14 136.25 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.1 Cg_endo -69.79 161.79 85.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -81.71 119.47 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.07 143.83 28.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -117.09 5.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.0 t -109.16 133.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -104.2 94.62 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 89.0 m95 -66.79 96.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.71 122.13 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.9 t -53.32 148.88 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.67 -40.4 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.495 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.71 -52.79 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.7 m -48.75 151.63 2.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.35 19.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.32 32.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -97.17 -38.92 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpt -103.74 32.17 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 p -61.91 134.83 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' A' ' 64' ' ' HIS . 47.0 mt -104.77 165.3 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -142.09 124.78 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CE1' HD21 ' A' ' 70' ' ' LEU . 50.0 m-85 -120.04 134.79 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.57 150.88 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.77 -33.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -66.91 -47.32 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 60.0 m -94.51 23.35 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.532 ' CB ' ' CD1' ' A' ' 37' ' ' TRP . 52.2 p -72.13 -38.79 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.9 15.75 14.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.97 164.22 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.56 108.98 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.604 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.4 t60 -120.75 129.85 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -125.2 124.19 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -126.83 -174.57 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -39.3 -50.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.64 -55.21 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 46.9 t60 -55.67 149.37 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -148.92 -179.63 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.38 -46.05 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.36 -38.06 62.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.1 m170 -43.19 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -111.82 165.88 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 50' ' ' PHE . 66.5 mt -127.9 142.61 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.06 117.17 50.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.644 0.735 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.75 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 91.5 mt -97.85 98.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -129.04 145.55 51.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.0 p -60.59 142.96 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' SER . 93.9 p -38.34 154.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.26 -155.4 52.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.15 22.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 p -122.74 152.91 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.1 t -92.62 81.57 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.47 -179.982 . . . . . . . . 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 -0.3 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -73.28 131.65 42.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -111.9 99.55 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.01 63.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -106.63 173.4 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -85.61 137.04 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.54 141.21 38.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -134.14 168.75 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -82.03 135.59 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 ttt -171.27 139.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 67.83 41.06 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 154.72 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -112.53 147.9 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.0 p -108.57 123.38 48.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -84.82 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -144.72 155.25 43.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 18' ' ' GLN . 64.8 t -103.96 141.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.447 ' N ' HG13 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -117.02 100.35 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -78.37 113.43 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.7 145.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.34 -35.4 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' ' NH1' ' A' ' 36' ' ' ARG . 24.0 m-85 -86.14 148.5 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -141.2 127.36 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.464 ' CB ' HG22 ' A' ' 29' ' ' ILE . 34.2 t -56.25 126.55 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.72 2.43 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.499 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.83 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.417 ' N ' HD21 ' A' ' 26' ' ' ASN . 26.3 p -89.18 -38.35 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.41 16.85 12.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG22 ' CB ' ' A' ' 24' ' ' CYS . 4.6 tt -70.32 115.67 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.3 tt0 -148.77 133.7 9.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.73 163.52 81.51 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.37 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -87.03 124.47 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.26 135.22 50.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.42 -121.94 7.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -107.1 122.35 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.512 ' NH1' ' CE1' ' A' ' 22' ' ' PHE . 44.4 ttp180 -96.12 96.94 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.5 m95 -68.35 95.38 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -89.46 124.35 34.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.3 t -57.75 142.2 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -99.72 -36.53 9.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 9.2 t0 -63.12 -55.82 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.2 m -45.0 153.35 0.51 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 166.85 26.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -2.07 9.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -109.56 -32.4 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.6 tpt -107.14 28.93 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -57.4 137.47 56.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.518 HD13 ' CG ' ' A' ' 64' ' ' HIS . 25.0 mt -107.11 164.65 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.38 124.66 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -124.18 125.92 45.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -70.32 148.7 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.25 -29.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.9 t -70.71 -44.33 67.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.499 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 67.6 m -95.02 17.42 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.561 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 64.9 p -69.03 -38.33 79.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -90.96 10.58 25.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.09 160.44 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.07 117.56 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.0 t60 -126.66 132.29 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.64 119.58 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 p -124.19 -176.13 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.4 -46.56 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.76 -53.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CG ' HD13 ' A' ' 48' ' ' LEU . 64.6 t60 -62.99 146.52 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 60.4 mmtt -143.38 178.23 7.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.01 -26.84 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.27 -25.81 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.9 m170 -53.78 158.17 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -106.54 163.18 13.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.1 148.2 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -116.9 114.48 39.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.5 Cg_endo -69.66 106.24 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 75' ' ' ARG . 63.6 mt -98.8 98.43 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.32 -39.06 89.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -128.39 156.8 42.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 t -76.23 134.38 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.3 p -84.34 174.64 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.81 -156.65 11.97 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 112.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -145.39 148.89 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -41.77 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.46 -179.956 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -128.22 137.59 52.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -89.25 131.03 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.16 -142.22 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -79.74 98.69 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -103.7 -31.43 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.14 21.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 9.0 pt20 -116.64 128.34 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.51 155.35 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.429 ' CE ' ' HG3' ' A' ' 8' ' ' GLN . 23.6 mmt -104.11 87.63 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -167.6 146.91 4.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.42 95.06 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.33 152.82 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t -146.33 160.37 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.87 113.82 0.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -144.41 177.21 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' CG2' ' HD3' ' A' ' 75' ' ' ARG . 85.3 t -104.92 140.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.45 99.86 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -79.19 115.49 18.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -93.37 138.63 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 -32.77 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.9 126.06 35.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 18.4 tttt -121.89 139.29 53.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.24 136.19 57.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -13.62 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.506 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.21 -60.75 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.71 -47.44 4.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.4 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 tt -75.62 122.68 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.5 tt0 -152.24 137.96 11.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.79 160.69 87.7 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 -1.817 . . . . 0.0 112.345 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.39 120.17 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.97 151.41 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.15 -118.7 5.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -110.28 127.09 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -97.72 104.06 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.454 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 91.3 m95 -73.52 99.19 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 8.7 t60 -94.55 121.99 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.7 t -55.02 145.48 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.5 -40.84 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.494 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 46.6 t0 -62.1 -55.71 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -44.35 152.31 0.51 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.77 26.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -5.44 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -105.16 -32.69 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 tpt -108.3 27.04 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 78.9 p -57.58 134.09 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 64' ' ' HIS . 15.9 mt -104.14 164.34 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.57 126.48 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -121.68 134.38 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.81 145.88 44.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.4 -35.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.55 -46.5 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 64.6 m -94.47 23.4 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.452 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 61.4 p -70.76 -36.77 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -93.63 14.91 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.81 157.39 17.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.74 118.76 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.466 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.5 t60 -128.41 132.94 48.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.52 118.71 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.0 p -121.16 -174.89 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -45.5 -43.52 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.6 mt -107.05 -52.61 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.512 ' CG ' HD12 ' A' ' 48' ' ' LEU . 49.6 t60 -59.68 148.7 32.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 38.3 mmtt -146.81 177.4 9.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.15 -38.21 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.8 -33.55 75.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.6 m170 -47.59 150.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -102.67 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.47 148.63 47.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.11 113.1 43.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.689 0.757 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.71 100.42 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.67 97.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -64.88 -56.12 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' HD3' ' CG2' ' A' ' 17' ' ' VAL . 49.3 mmt-85 -110.74 158.09 19.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.1 p -69.73 144.21 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -107.89 147.17 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.0 -120.44 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 113.22 3.31 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -135.52 157.05 47.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.7 p -103.23 135.91 43.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.488 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 m -156.4 125.45 6.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -87.85 169.96 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.21 175.03 21.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -104.6 164.64 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -165.75 150.72 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.55 102.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -145.07 163.3 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.13 103.07 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.31 110.53 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -122.47 134.03 54.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.02 110.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.62 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -155.82 152.56 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.69 -80.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -133.91 161.76 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -98.95 139.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.98 99.98 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -79.04 113.87 17.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -93.03 139.56 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.16 -32.04 6.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.18 123.92 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.3 tttp -117.45 146.47 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.48 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.6 t -70.73 137.37 49.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.71 -17.0 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.7 t30 -77.07 -67.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 p -94.67 -49.66 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.41 28.34 2.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 tt -77.64 123.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 19.2 tt0 -151.55 133.47 8.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.72 161.08 86.82 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.347 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.02 121.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -97.04 151.48 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.76 -124.22 6.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.0 t -106.12 134.13 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -100.72 98.54 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.506 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 91.3 m95 -67.96 96.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -91.1 124.29 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.35 141.04 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -99.48 -35.26 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' CB ' ' CG ' ' A' ' 68' ' ' HIS . 1.2 m-20 -64.07 -54.88 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.7 m -46.38 150.83 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.71 169.52 18.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -12.19 32.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -101.68 -23.4 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.412 ' CB ' ' HG2' ' A' ' 43' ' ' PRO . 6.6 tpt -116.59 24.52 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.8 m -57.52 130.71 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' A' ' 64' ' ' HIS . 11.5 mt -103.64 164.05 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -141.03 127.14 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.21 132.38 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.45 144.81 46.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.14 -35.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.4 -46.33 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.496 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 85.0 m -93.34 22.69 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.506 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 59.1 p -70.72 -38.52 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.06 14.74 13.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.4 m -93.03 153.89 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.23 110.08 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -121.29 126.37 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.74 122.51 39.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.1 p -123.88 -175.6 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -40.84 -48.55 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mt -103.38 -53.68 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 24.5 t60 -58.61 148.45 28.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -147.51 -179.3 6.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.51 -32.78 48.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.76 -30.31 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' CG ' ' CB ' ' A' ' 41' ' ' ASP . 11.8 m170 -50.01 157.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -107.08 158.0 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.2 mt -121.29 148.03 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.02 114.08 43.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.3 Cg_endo -69.82 97.19 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.45 98.4 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -66.26 -53.09 40.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -110.78 152.58 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.7 t -75.82 124.08 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.4 p -60.38 110.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.11 104.99 0.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 t -84.2 -43.62 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -81.37 131.12 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.474 179.994 . . . . . . . . 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 -0.351 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 p -124.26 42.19 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m -106.1 138.47 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.31 -127.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -133.74 136.63 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m -132.99 135.42 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.1 126.2 1.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -133.43 139.69 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.708 0.29 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -69.41 146.61 51.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.8 mmm -114.56 95.1 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -130.85 112.58 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.64 165.09 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -57.27 134.75 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 p -73.3 98.09 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.52 -66.71 1.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -144.19 158.67 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.11 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -99.62 102.36 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -87.27 113.42 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 21' ' ' GLY . 96.3 t -93.9 138.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.435 ' N ' HG11 ' A' ' 20' ' ' VAL . . . 100.17 -35.82 4.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.641 ' CZ ' ' NH2' ' A' ' 36' ' ' ARG . 84.6 m-85 -85.12 128.94 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.384 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -125.99 125.66 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.0 t -56.88 126.03 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -4.89 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -88.33 -68.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 p -91.03 -40.61 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.66 8.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.5 tt -73.89 117.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.513 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 20.6 tt0 -150.56 133.39 8.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.0 Cg_endo -69.79 162.79 83.47 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.361 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.88 129.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -107.42 135.94 48.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.94 -119.72 6.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.76 130.76 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' NH2' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 ttp85 -101.15 104.74 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.3 m95 -74.16 97.48 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' CE1' ' O ' ' A' ' 39' ' ' CYS . 5.4 t60 -91.31 122.92 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 38.1 t -58.52 144.58 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -98.99 -38.07 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.12 -56.44 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 m -46.33 149.93 1.24 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.66 33.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -99.03 -32.1 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.44 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 8.2 tpt -109.13 25.39 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m -59.46 139.44 57.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD13 ' CG ' ' A' ' 64' ' ' HIS . 52.9 mt -113.24 164.72 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.88 130.17 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.32 132.74 54.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.4 p -72.98 147.47 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -36.67 -34.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.23 -44.84 78.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 75.4 m -93.46 22.64 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 p -75.43 -28.25 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.13 10.34 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.06 153.23 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.06 113.23 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 17.3 t60 -123.57 124.92 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -118.9 118.62 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.5 p -117.65 -178.79 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -40.08 -44.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -106.57 -54.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 34.4 t60 -59.67 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -142.79 -175.19 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.62 -45.87 16.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -55.82 -31.99 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 10.6 m170 -45.26 161.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -111.9 158.27 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -120.97 150.11 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.03 113.78 39.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.78 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.4 mt -94.85 98.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -67.15 -48.97 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -119.26 151.71 37.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.8 p -72.27 141.22 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.9 t -58.04 99.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 173.1 95.98 0.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 85.6 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t -167.92 149.24 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.7 t -110.85 95.26 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.431 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -93.33 110.61 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -84.41 -58.76 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.38 -157.91 22.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -142.78 151.12 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -87.8 161.88 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.84 165.99 12.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -109.31 97.42 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -132.42 -43.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttm -71.72 134.55 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 18.1 pt20 -99.68 -44.03 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 11' ' ' GLN . . . -48.0 129.61 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.94 140.25 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 t -174.46 134.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.09 -92.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -121.42 169.62 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.93 144.69 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.73 99.56 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -81.85 113.42 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -96.16 132.35 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.38 -29.71 11.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 40.5 m-85 -93.68 143.68 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -135.72 141.74 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.6 t -65.98 127.66 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.95 10.34 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.9 t30 -104.92 -70.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.32 -44.21 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.25 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 tt -78.23 118.82 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -151.4 133.35 8.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.68 159.04 90.1 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.401 -0.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.8 mt -81.7 114.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.72 132.01 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.89 -129.01 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.75 128.6 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.156 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.6 ttp180 -99.82 101.62 12.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.1 m95 -72.49 93.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 8.1 t60 -87.53 120.53 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 147.01 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -101.93 -40.04 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.499 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.4 m-20 -60.61 -54.43 45.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -46.32 151.84 0.92 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 167.31 24.88 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.93 13.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.25 -32.99 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tpt -107.96 31.04 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 74.4 p -59.46 140.31 56.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 64' ' ' HIS . 29.5 mt -109.08 165.02 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 127.13 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -125.14 132.38 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -73.11 145.29 46.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -36.09 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.4 t -66.78 -45.6 77.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 68.1 m -95.48 23.09 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.404 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 51.0 p -70.03 -37.77 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -92.13 14.8 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.16 155.44 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 tp -116.29 116.02 27.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.0 t60 -125.99 127.08 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -117.15 118.7 33.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -120.38 -177.08 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -40.27 -50.86 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.89 -51.6 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -60.0 145.95 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -142.73 -175.31 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.12 -27.23 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.72 -24.21 60.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.5 m170 -57.4 158.15 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -107.22 165.46 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.98 142.99 51.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -111.17 115.45 52.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.8 Cg_endo -69.79 107.47 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 75' ' ' ARG . 59.3 mt -100.58 99.31 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.04 -41.13 82.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 78.6 mtp180 -124.79 160.53 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.7 p -85.46 134.42 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 76.3 p -67.01 82.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 79' ' ' PRO . . . -172.69 102.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 78' ' ' GLY . 53.8 Cg_endo -69.72 -7.09 20.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -56.81 -60.13 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 t -92.91 86.7 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.492 179.97 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -138.36 171.83 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -55.55 100.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.03 72.94 2.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -174.51 140.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -102.36 -52.55 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.89 71.78 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -84.74 142.16 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.62 141.41 58.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 161.04 9.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -87.96 152.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.65 137.89 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 63.08 42.69 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -156.95 112.85 2.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 16' ' ' PHE . . . 82.69 31.8 28.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 26.6 m-85 -145.84 178.61 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.9 t -98.06 145.64 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -132.09 99.8 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.89 113.59 22.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -90.4 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.03 -35.95 3.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 18.5 m-85 -86.54 133.23 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.4 tttt -126.6 142.26 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 53.5 t -64.21 129.01 38.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.82 22.78 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.64 -62.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.0 p -95.72 -40.83 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.0 31.91 3.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 tt -89.77 122.33 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.3 tt0 -152.21 136.98 10.62 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.76 163.46 81.77 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.365 -0.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD13 ' C ' ' A' ' 23' ' ' LYS . 72.3 mt -85.38 115.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.04 143.76 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.84 -118.76 6.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -112.22 124.74 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.1 ttp180 -95.78 105.64 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.1 m95 -76.01 94.89 3.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 7.0 t60 -89.43 121.49 31.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.14 147.42 12.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -102.0 -40.81 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.1 -53.96 51.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.5 m -47.27 151.25 1.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.96 11.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -105.91 -38.59 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 tpt -104.58 32.94 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 81.9 p -61.65 137.59 58.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -106.22 164.85 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.26 121.07 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -117.89 133.05 56.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.8 p -70.83 151.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -37.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.33 -43.21 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.0 m -98.24 24.35 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.561 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 85.0 p -71.97 -37.7 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -91.27 15.58 11.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.3 m -90.77 155.3 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 tp -116.52 114.95 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.2 t60 -125.4 131.27 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 65' ' ' LYS . 17.0 mt-10 -125.43 123.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -126.78 -174.23 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -41.15 -45.82 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.32 -56.34 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 32.1 t60 -58.44 145.42 38.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' C ' ' HG2' ' A' ' 60' ' ' GLU . 23.2 mmtp -140.93 -176.37 4.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.78 -36.16 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.83 -34.04 77.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.7 m170 -46.2 157.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -110.14 166.07 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.1 mt -125.64 145.17 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -111.9 116.33 49.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.753 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.71 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 75' ' ' ARG . 74.0 mt -95.44 98.69 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.6 -50.16 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 16.1 mmt180 -118.4 170.39 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 77' ' ' SER . 12.4 t -102.53 111.65 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' SER . 25.8 p 36.84 47.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.21 -127.99 2.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.82 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -63.99 144.2 57.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 t -63.88 -44.21 93.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.497 -179.965 . . . . . . . . 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 -0.342 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -89.04 143.09 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -88.51 101.69 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.32 175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.3 p -94.84 157.34 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -125.82 156.55 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.45 6.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -113.24 -51.43 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 61.42 42.07 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.2 mtp -69.79 130.02 41.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.27 142.21 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.94 167.78 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.66 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -131.57 39.46 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.75 -57.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' HB3' ' N ' ' A' ' 34' ' ' GLY . 14.3 m-85 -143.81 156.56 44.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.96 125.73 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -87.57 100.03 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.41 ' NE2' ' O ' ' A' ' 34' ' ' GLY . 24.4 m-70 -87.07 113.5 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.45 139.33 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 -33.11 6.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -87.49 133.79 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -130.81 120.51 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.73 130.88 33.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.69 -11.17 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.462 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -81.97 -68.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.3 p -91.4 -46.85 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.15 20.5 5.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 HG21 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -70.61 117.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 16.5 tt0 -152.08 131.17 6.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.9 Cg_endo -69.72 160.01 88.61 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.37 132.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -111.36 140.39 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' HIS . . . 97.23 -118.62 6.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -114.13 127.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.191 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH2' HD11 ' A' ' 73' ' ' ILE . 19.4 ttp-105 -98.59 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.519 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.4 m95 -77.83 93.94 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -86.89 123.12 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.4 t -55.57 145.63 22.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.85 -37.55 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.36 -54.72 32.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.3 m -46.73 151.74 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.96 22.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -9.12 25.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.11 -36.07 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.3 tpt -105.96 29.97 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -57.88 140.16 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.514 HD11 ' CG ' ' A' ' 64' ' ' HIS . 16.4 mt -110.12 164.99 12.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -142.7 131.91 23.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -130.55 126.08 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -67.51 148.18 51.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.6 -37.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -43.27 98.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' CYS . 83.3 m -96.03 20.02 10.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.1 p -70.42 -37.26 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.52 13.36 15.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.9 154.99 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -116.55 116.21 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 19.7 t60 -125.87 131.28 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.7 119.37 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.2 p -120.65 -174.44 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -42.79 -48.93 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mt -101.49 -56.53 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 37.6 t60 -55.2 153.2 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -150.67 -178.49 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.53 -38.47 40.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.87 -34.15 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -45.36 164.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.25 165.87 12.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -127.48 147.12 50.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.88 115.16 41.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.77 102.87 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.414 HD11 ' NH2' ' A' ' 36' ' ' ARG . 64.3 mt -95.39 98.69 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -65.5 -57.03 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -112.51 151.13 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -67.5 140.17 57.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.9 p -111.48 -44.76 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.35 -78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 97.94 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.2 m -91.39 -58.18 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 t -118.96 90.18 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.473 -179.996 . . . . . . . . 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 -0.32 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -80.51 44.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.11 125.73 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.23 42.14 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -45.35 158.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -126.37 176.0 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.93 88.22 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -118.75 95.4 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -127.26 102.78 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mpt? 60.21 43.55 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -73.59 -60.98 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 149.75 10.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -38.7 158.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m 62.68 44.18 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.18 -52.24 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -153.26 146.0 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 18' ' ' GLN . 58.8 t -83.43 139.26 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' N ' HG11 ' A' ' 17' ' ' VAL . 8.7 pt20 -121.5 99.64 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.34 114.08 17.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 21' ' ' GLY . 62.8 t -94.66 144.09 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 20' ' ' VAL . . . 92.94 -35.18 4.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -87.67 131.64 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.933 0.397 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 16.2 tttt -123.27 141.95 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.25 130.58 44.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.11 23.11 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -121.16 -62.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.92 -40.42 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.51 32.54 3.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 tt -89.25 121.52 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 21.3 tt0 -152.31 136.2 9.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.05 84.85 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.343 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.1 mt -82.63 120.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.62 137.62 42.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.65 -118.29 6.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.65 124.64 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 ttp85 -95.13 103.31 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.2 m95 -74.36 97.39 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 47' ' ' SER . 5.7 t60 -91.97 119.19 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.2 t -51.21 148.77 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -103.12 -41.13 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.501 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.5 -52.72 64.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -49.16 151.51 2.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -11.17 30.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -98.64 -38.06 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.1 tpt -103.91 33.7 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 90.2 p -62.62 135.71 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 64' ' ' HIS . 25.4 mt -105.02 165.43 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.08 126.69 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CE2' HD22 ' A' ' 70' ' ' LEU . 68.4 m-85 -123.56 132.11 53.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -70.09 150.24 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -40.05 -32.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -68.41 -43.34 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.4 m -96.98 24.29 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 58.0 p -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.43 16.42 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.33 154.47 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 tp -114.72 114.73 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 41.4 t60 -125.33 130.26 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 66' ' ' GLU . 12.2 mt-10 -122.94 123.21 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.2 p -126.09 -177.01 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -39.05 -48.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.7 mt -105.11 -53.64 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -58.95 146.38 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -142.5 179.39 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 60' ' ' GLU . 17.3 pt-20 -75.5 -39.93 57.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -60.55 -35.39 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.0 m170 -43.68 160.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -111.18 164.96 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 50' ' ' PHE . 80.9 mt -125.88 143.48 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -109.97 115.81 54.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.442 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.0 mt -96.28 98.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.37 -50.12 66.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 22.2 mtm105 -110.97 152.7 26.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 m -62.98 130.06 43.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -125.32 80.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.29 -155.11 14.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.12 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t 59.59 41.0 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.9 m -143.47 151.88 40.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.492 179.974 . . . . . . . . 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 ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -87.17 113.5 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -93.26 139.26 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.32 -31.98 6.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.91 121.76 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 16.5 tttt -117.63 142.73 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.2 t -65.45 125.18 24.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 22.57 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -120.44 -60.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.6 p -97.97 -39.05 9.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.01 29.92 4.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.471 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.8 tt -88.14 121.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.5 tt0 -152.14 138.07 11.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.72 161.82 85.28 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.38 -0.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -82.62 119.27 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -97.66 151.65 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.38 -121.1 5.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 74' ' ' TYR . 84.1 t -104.79 133.13 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -104.76 99.99 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.534 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.3 m95 -69.1 100.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.1 t60 -95.34 121.91 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -54.86 145.23 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -100.66 -40.43 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 12.5 t0 -60.88 -53.9 51.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -48.19 152.14 1.59 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.09 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.96 36.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.393 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -95.12 -39.23 10.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.723 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -102.02 29.16 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.3 p -60.55 131.78 51.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' CG ' ' A' ' 64' ' ' HIS . 20.4 mt -102.36 164.74 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.18 125.12 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -119.44 141.01 49.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' CYS . 26.5 p -76.35 148.58 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -35.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.61 -43.07 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.2 m -97.92 24.25 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.6 p -74.87 -30.12 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -96.85 11.56 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.2 160.31 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.2 tp -120.21 116.69 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.406 ' CD2' ' CG2' ' A' ' 61' ' ' THR . 64.3 t60 -124.05 133.0 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -125.13 118.65 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.406 ' CG2' ' CD2' ' A' ' 59' ' ' HIS . 7.0 p -123.11 -174.12 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -42.77 -47.65 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.7 mt -103.71 -56.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.504 ' CG ' HD12 ' A' ' 48' ' ' LEU . 12.7 t-80 -56.55 146.07 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmtt -143.45 -179.94 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.7 pt-20 -76.29 -34.13 59.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.4 -33.87 76.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.1 m170 -47.54 158.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -112.79 162.39 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -123.24 143.62 49.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -110.35 116.96 52.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.465 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.6 Cg_endo -69.75 100.05 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 38' ' ' HIS . 79.8 mt -93.07 97.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.734 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.22 -63.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.1 113.5 20.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.49 148.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.27 -33.74 4.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -90.53 130.92 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.0 tttp -122.91 145.29 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -68.37 146.26 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.31 -20.13 17.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -75.98 -57.82 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.8 p -103.49 -46.82 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 114.78 20.62 5.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -69.63 122.56 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.1 tt0 -151.9 133.19 7.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.75 161.38 86.28 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.347 -0.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -81.76 117.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 31' ' ' PRO . 1.7 mp0 -96.39 133.23 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.16 -118.49 5.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.1 t -118.9 126.39 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -92.71 110.2 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.59 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.4 m95 -77.92 95.38 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.591 ' HB3' HD11 ' A' ' 73' ' ' ILE . 11.6 t60 -87.05 121.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.45 ' HA ' HD23 ' A' ' 70' ' ' LEU . 28.8 t -57.44 144.26 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.05 -37.53 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.2 m-20 -62.42 -52.01 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.6 m -49.55 151.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.18 19.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -7.11 20.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -104.96 -28.73 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD12 ' A' ' 63' ' ' ILE . 11.4 tpt -110.44 28.75 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.7 p -57.6 131.01 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 64' ' ' HIS . 11.4 mt -102.39 164.5 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.08 127.23 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -126.85 124.35 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -65.61 144.99 56.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.35 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.35 -46.92 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 74.2 m -90.62 21.13 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.59 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 90.3 p -72.98 -34.72 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.27 8.28 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.8 m -89.69 159.13 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.01 115.12 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -126.49 128.28 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.82 122.05 38.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 p -121.4 -175.45 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -42.24 -46.76 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.924 HD12 ' HG2' ' A' ' 46' ' ' MET . 20.8 mt -103.95 -54.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CG ' HD12 ' A' ' 48' ' ' LEU . 9.4 t-160 -57.32 150.95 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -149.73 -179.32 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.68 -29.74 40.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -24.6 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.3 m170 -55.82 161.05 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.51 165.05 11.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' CYS . 84.9 mt -129.24 146.97 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 28.9 tt0 -114.3 115.93 44.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.1 Cg_endo -69.79 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.649 ' C ' HG13 ' A' ' 35' ' ' VAL . 53.0 mt -94.4 98.33 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.926 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.1 m-85 -66.72 -50.64 62.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -80.63 113.55 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.46 135.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.9 -27.63 19.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 21.4 tttt -121.65 143.21 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -69.93 141.94 53.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.03 -14.66 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -80.89 -55.14 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.629 ' SG ' HG22 ' A' ' 29' ' ' ILE . 28.0 p -104.42 -46.23 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.15 24.13 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.629 HG22 ' SG ' ' A' ' 27' ' ' CYS . 6.2 tt -76.3 125.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.2 tt0 -151.87 132.26 7.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.69 164.7 78.33 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.388 -0.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.7 124.25 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -99.32 144.04 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.8 -123.01 6.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.5 t -105.82 136.65 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -103.54 97.58 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 92.8 m95 -67.47 98.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -94.25 121.97 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 t -54.22 146.35 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -101.06 -40.75 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 5.2 t0 -63.62 -54.81 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -44.87 152.29 0.57 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.14 25.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -9.08 25.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -100.88 -38.51 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.721 ' HG2' HD12 ' A' ' 63' ' ' ILE . 2.9 tpt -102.97 25.81 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -58.04 129.73 43.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD12 ' CG ' ' A' ' 64' ' ' HIS . 8.6 mt -98.56 162.95 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -140.7 129.08 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -125.42 131.69 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.4 p -71.14 145.62 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -37.03 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 t -70.97 -45.36 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 82.9 m -94.21 22.95 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.525 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 47.1 p -72.26 -38.62 68.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.09 11.39 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.0 154.52 18.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.15 116.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -124.71 130.1 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -122.64 118.69 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 p -121.19 -176.46 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -43.06 -45.32 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -104.92 -51.02 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' CG ' HD12 ' A' ' 48' ' ' LEU . 8.0 t-160 -60.35 149.71 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -149.04 179.13 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.99 -38.41 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.73 -29.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB3' ' A' ' 41' ' ' ASP . 14.7 m170 -53.07 152.88 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -104.35 165.24 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -125.48 148.67 48.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -114.63 114.11 44.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.74 101.51 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 72.1 mt -94.78 98.09 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.7 m-85 -67.57 -46.08 73.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.95 113.56 25.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.8 t -94.15 132.87 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.3 -32.26 7.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 36' ' ' ARG . 60.6 m-85 -91.45 124.34 35.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HE3' ' CA ' ' A' ' 28' ' ' GLY . 8.7 tttp -117.25 145.98 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.0 t -69.89 140.81 53.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.1 -17.28 22.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -76.79 -59.03 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.9 p -102.38 -48.85 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 116.5 26.54 3.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.22 126.45 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.6 tt0 -151.77 134.21 8.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.79 166.94 72.83 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.332 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' C ' ' A' ' 23' ' ' LYS . 82.5 mt -86.0 114.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.34 145.81 24.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.85 -124.52 7.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 74' ' ' TYR . 78.0 t -105.5 134.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 22' ' ' PHE . 36.8 ttp85 -101.25 97.36 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.2 m95 -67.33 96.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.2 t-80 -91.56 123.9 35.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 t -56.43 143.38 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -101.48 -33.9 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 45.5 t0 -66.67 -55.93 12.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.4 m -44.52 151.44 0.59 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.12 22.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.96 -26.72 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.767 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -114.33 27.1 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 m -57.23 136.97 56.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 64' ' ' HIS . 22.6 mt -110.26 164.96 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -143.52 128.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -122.59 134.34 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -72.36 145.13 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.79 -33.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.2 t -66.25 -45.92 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 78.6 m -94.03 22.73 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.568 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.5 p -71.15 -39.62 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.09 14.74 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.9 m -92.84 154.91 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -115.93 111.28 20.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -119.91 131.1 55.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -124.84 118.52 26.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.4 p -122.77 -174.64 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -41.83 -49.13 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.767 HD12 ' HG2' ' A' ' 46' ' ' MET . 43.1 mt -102.52 -56.3 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.512 ' CG ' HD12 ' A' ' 48' ' ' LEU . 15.5 t-80 -58.56 149.01 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -147.18 -177.64 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 58' ' ' LEU . 7.3 pt-20 -76.77 -40.57 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.14 -35.46 73.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 14.8 m170 -46.48 153.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.86 164.58 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.12 143.75 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -112.08 114.9 50.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.78 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 38' ' ' HIS . 66.3 mt -94.69 98.38 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.772 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.41 -47.69 72.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -85.66 113.59 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.6 t -94.25 139.67 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -24.85 29.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -101.45 127.65 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 7.5 tttp -118.99 144.08 46.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.448 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.5 t -67.31 136.84 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -89.98 -14.81 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 57' ' ' CYS . 17.8 t-20 -79.99 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -96.1 -48.01 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.92 19.25 4.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.425 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.9 tt -70.76 123.46 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 24.0 tt0 -152.0 134.52 8.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.72 163.23 82.26 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.385 -0.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -83.44 121.11 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.12 149.97 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 -119.56 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ILE . 54.0 t -106.05 136.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.086 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -105.08 94.3 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.7 m95 -65.78 95.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.0 t60 -92.46 121.99 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.49 146.97 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.86 -34.95 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.487 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 42.5 t0 -66.43 -52.69 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -46.96 152.89 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.85 27.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.33 -34.8 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.862 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -105.01 29.7 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -58.04 133.89 55.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.1 mt -105.2 165.06 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.38 130.85 18.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.78 134.96 49.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.6 p -72.95 143.88 47.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -34.02 -34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -65.2 -48.21 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 86.2 m -90.41 22.61 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.54 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.0 p -72.65 -27.42 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -100.93 10.41 41.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 26' ' ' ASN . 57.2 m -90.19 155.51 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.33 119.63 36.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -128.35 133.53 48.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.06 118.55 26.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.5 p -121.44 -175.11 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -44.03 -45.8 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.862 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.4 mt -105.28 -54.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.583 ' CG ' HD12 ' A' ' 48' ' ' LEU . 17.8 t-80 -60.33 143.49 52.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -139.74 -176.23 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.62 -26.32 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.17 -22.73 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.487 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 15.0 m170 -57.63 153.75 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -104.45 160.88 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.22 148.54 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.31 115.21 42.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.664 0.745 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.79 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 38' ' ' HIS . 72.8 mt -95.32 98.31 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.8 m-85 -64.99 -50.7 65.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.87 113.51 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -90.31 135.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.44 -32.47 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' NE ' ' A' ' 36' ' ' ARG . 37.0 m-85 -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.5 tttp -117.2 147.6 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.9 t -70.19 131.62 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.67 27.04 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.79 -62.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.63 -34.95 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.85 30.82 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.6 tt -86.14 123.83 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.4 tt0 -151.89 133.71 8.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.8 165.35 76.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.348 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.431 HD11 ' C ' ' A' ' 23' ' ' LYS . 88.4 mt -83.78 121.66 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mp0 -99.73 141.82 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.86 -122.58 7.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.781 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.0 t -108.5 128.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' NE ' ' CG ' ' A' ' 22' ' ' PHE . 28.3 ttp85 -96.75 108.26 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 72' ' ' PRO . 90.9 m95 -77.97 91.93 4.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.551 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.5 t-80 -85.72 118.47 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.5 t -52.2 148.15 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -102.93 -40.47 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -62.29 -56.2 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 150.63 0.41 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 53.8 Cg_endo -69.82 169.29 19.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.61 29.0 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.14 -28.97 11.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.898 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.0 tpt -111.93 23.16 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 m -57.38 128.64 38.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 64' ' ' HIS . 13.9 mt -101.15 165.06 11.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.92 128.33 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -120.71 145.74 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' CYS . 24.5 p -76.98 149.82 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -37.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 t -64.53 -41.56 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 76.6 m -98.06 23.31 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 53.9 p -73.92 -35.41 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.46 14.66 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -92.47 154.76 18.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -115.53 110.53 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -125.28 123.8 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -118.77 120.81 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -119.6 -174.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -39.66 -49.75 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.898 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -102.5 -56.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.468 ' CG ' HD12 ' A' ' 48' ' ' LEU . 9.0 t-160 -53.46 153.0 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -153.33 178.94 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.11 -38.18 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -61.7 -34.73 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.52 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.7 m170 -46.89 156.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -107.18 165.39 11.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.2 mt -126.7 143.86 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.95 113.06 57.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.68 99.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 38' ' ' HIS . 58.8 mt -93.49 98.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.781 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.2 m-85 -67.7 -48.87 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -84.79 113.47 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.97 132.04 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.64 -33.61 6.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -87.98 141.87 28.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 7.5 tttp -134.2 142.95 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.2 t -68.68 130.39 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.84 18.71 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' ND2' ' SG ' ' A' ' 57' ' ' CYS . 21.9 t-20 -117.46 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.6 p -91.09 -29.62 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.9 30.47 8.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -85.41 122.24 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.9 tt0 -152.17 134.08 8.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.4 Cg_endo -69.81 163.44 81.94 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.373 0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -82.2 125.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -103.28 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.6 -125.02 6.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 74' ' ' TYR . 69.8 t -108.02 123.04 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -90.6 111.29 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.6 m95 -81.13 96.41 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.589 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -89.69 119.23 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' HA ' HD23 ' A' ' 70' ' ' LEU . 38.3 t -52.56 148.76 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -105.62 -39.96 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.74 -49.68 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.28 152.82 5.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.38 24.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.93 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.45 -28.87 7.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 tpt -110.28 30.38 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 91.0 p -60.46 141.94 55.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -112.03 164.92 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -139.81 131.18 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -132.16 128.35 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.8 p -68.85 146.9 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.1 -33.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 5.1 t -67.98 -47.0 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 61.4 m -94.78 23.97 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.4 p -73.29 -37.08 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.09 15.7 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.44 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 1.7 p -85.86 162.97 18.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 66' ' ' GLU . 9.3 tp -120.42 109.39 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -122.05 127.08 49.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -124.14 120.37 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -123.81 -175.62 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -42.12 -42.22 2.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.6 mt -109.25 -51.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CG ' HD12 ' A' ' 48' ' ' LEU . 10.2 t-160 -61.17 151.24 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 42.6 mmtt -150.84 177.26 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.627 ' HB2' HD11 ' A' ' 58' ' ' LEU . 9.9 pt-20 -72.28 -42.17 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.96 -32.81 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 10.3 m170 -47.81 151.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -101.87 166.34 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 39' ' ' CYS . 87.0 mt -129.68 141.64 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -108.09 114.23 59.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.3 Cg_endo -69.73 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 38' ' ' HIS . 56.7 mt -94.9 99.16 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.88 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -67.44 -55.3 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -87.22 113.4 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.16 133.06 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.48 -31.87 8.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -91.87 120.37 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.9 tttt -115.28 139.18 50.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.97 127.5 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -89.6 23.62 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.533 ' ND2' ' SG ' ' A' ' 57' ' ' CYS . 21.9 t-20 -122.3 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.12 -39.08 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 30.63 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.9 tt -89.55 120.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.7 tt0 -152.37 138.8 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.47 83.97 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.87 113.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -98.6 115.41 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.79 -122.98 4.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG22 ' HA ' ' A' ' 74' ' ' TYR . 58.5 t -107.8 124.76 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -93.2 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.9 m95 -81.75 96.68 7.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.569 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.1 t60 -88.6 122.96 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -60.45 145.24 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -97.42 -38.26 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -62.74 -51.33 67.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -51.31 150.04 6.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HB2' ' CD ' ' A' ' 45' ' ' GLU . 53.9 Cg_endo -69.71 168.03 22.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 43' ' ' PRO . 10.0 pm0 -104.69 -32.28 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.816 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.2 tpt -108.55 31.71 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -58.43 149.41 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 34.2 mt -120.08 164.64 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 2.3 p-10 -142.05 126.47 17.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -122.67 131.26 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' CYS . 25.4 p -69.93 144.79 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -35.56 -37.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.17 -45.72 87.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' CYS . 73.1 m -93.72 20.52 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 27.7 p -69.49 -39.14 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -92.3 13.3 19.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.533 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 1.8 t -88.26 164.27 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -120.55 111.52 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -123.48 128.15 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -119.5 126.8 52.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -126.69 -178.62 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -41.25 -47.02 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.816 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.8 mt -105.58 -50.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.523 ' CG ' HD12 ' A' ' 48' ' ' LEU . 13.5 t-80 -61.19 151.08 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 33.2 mmtt -146.61 -175.59 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.6 pt-20 -78.87 -45.26 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -36.13 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 11.1 m170 -41.76 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -107.34 164.17 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.0 mt -128.24 146.95 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -116.09 114.51 41.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.4 Cg_endo -69.73 101.69 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.632 2.222 . . . . 0.0 112.397 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.0 mt -95.18 101.9 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.808 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -69.7 -51.85 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 1.5 mpt_? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -79.26 113.38 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.5 145.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.4 -35.4 4.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -86.46 154.76 20.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.662 ' C ' HD11 ' A' ' 32' ' ' ILE . 9.7 tttp -147.95 141.99 25.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.621 ' N ' HD11 ' A' ' 32' ' ' ILE . 48.9 t -67.12 126.38 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.17 -8.2 59.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.529 ' ND2' ' SG ' ' A' ' 57' ' ' CYS . 22.2 t-20 -85.39 -69.54 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -90.96 -47.15 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.74 29.86 2.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.457 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.4 tt -82.31 120.64 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -150.49 136.51 10.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.743 . . . . 0.0 110.853 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.81 158.09 91.52 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.369 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' C ' ' A' ' 23' ' ' LYS . 81.6 mt -83.99 119.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -105.18 141.18 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.64 -120.31 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.6 t -112.37 117.78 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -87.91 101.91 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.8 m95 -74.44 96.59 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -92.27 120.25 32.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' HD23 ' A' ' 70' ' ' LEU . 35.5 t -50.36 149.82 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -107.5 -38.56 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.3 m-20 -62.84 -50.94 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.0 m -49.94 150.9 3.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.6 18.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.6 4.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -111.84 -34.47 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -103.35 24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.9 p -57.26 132.55 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD12 ' CD2' ' A' ' 64' ' ' HIS . 29.8 mt -111.96 163.97 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.5 129.71 31.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.97 132.61 54.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.2 p -73.86 145.65 44.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.63 -35.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -64.67 -45.97 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 69.8 m -94.81 22.58 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.3 p -69.42 -37.88 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.65 15.48 19.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.529 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 1.8 t -88.63 164.63 15.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.2 tp -120.63 109.41 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -125.43 118.65 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -113.8 125.16 53.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.8 p -122.25 -174.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.3 -49.97 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 46' ' ' MET . 42.5 mt -104.67 -54.24 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 13.6 t60 -52.04 154.03 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 31.4 mmtt -153.08 176.96 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.7 pt-20 -73.75 -43.94 57.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.3 -34.99 67.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 12.9 m170 -46.46 161.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.88 166.87 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 39' ' ' CYS . 85.3 mt -129.55 142.22 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.4 tt0 -109.14 114.11 58.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.537 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.78 101.88 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.519 HD11 ' HB3' ' A' ' 38' ' ' HIS . 65.6 mt -93.91 98.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.622 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.7 m-85 -65.68 -48.15 73.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -82.1 113.48 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -95.76 137.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.22 -35.11 5.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.34 128.89 35.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -122.04 129.46 52.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -57.44 124.86 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.17 13.16 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -110.43 -69.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.579 ' SG ' HG22 ' A' ' 29' ' ' ILE . 30.3 p -90.66 -26.25 19.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 21.95 31.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -76.95 116.25 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.1 tt0 -148.76 135.72 10.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.7 163.22 82.23 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.42 127.91 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -105.19 150.38 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.5 -120.58 5.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.8 t -106.68 130.19 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 49.1 ttp85 -100.56 99.8 10.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 87.8 m95 -68.62 97.81 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.3 t60 -92.96 123.75 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -55.14 143.47 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -101.1 -36.61 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 31.3 t0 -64.04 -55.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 m -43.44 153.86 0.36 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.31 28.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.34 8.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -110.2 -33.39 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG2' HD12 ' A' ' 63' ' ' ILE . 5.9 tpt -106.85 29.87 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 p -57.94 139.05 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' CG ' ' A' ' 64' ' ' HIS . 21.5 mt -110.5 164.87 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' HB3' ' CG ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -143.96 127.43 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.0 138.23 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' CYS . 19.6 p -73.53 148.25 43.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.82 -34.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 t -66.58 -41.21 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 77.3 m -98.18 22.8 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 69.0 p -69.9 -40.23 75.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.07 15.32 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.2 m -91.15 155.94 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -117.41 113.17 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -123.35 131.81 53.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.27 118.59 26.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.9 p -121.48 -174.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -50.79 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -101.07 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.561 ' CG ' HD12 ' A' ' 48' ' ' LEU . 15.0 t-80 -58.2 147.38 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 22.7 mmtp -143.8 -176.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -77.59 -41.79 37.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -34.9 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.7 m170 -46.21 153.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -106.34 164.6 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -125.03 147.99 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.49 115.38 42.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.2 Cg_endo -69.76 99.84 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 38' ' ' HIS . 46.6 mt -92.89 99.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.713 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -67.31 -45.12 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -77.65 115.09 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.18 136.2 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.89 -35.55 4.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' NH2' ' A' ' 36' ' ' ARG . 93.0 m-85 -85.82 133.74 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 1.7 tmtt? -129.17 128.28 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 37.5 t -59.34 124.25 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.74 3.05 30.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.9 t-20 -97.06 -69.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.8 p -91.56 -34.44 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 102.62 20.14 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -74.73 115.86 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -149.01 134.36 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.71 161.8 85.3 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.325 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.4 mt -82.73 127.04 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -103.59 149.11 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.05 -119.67 5.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.726 HG22 ' HA ' ' A' ' 74' ' ' TYR . 68.9 t -107.7 132.57 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' NH2' ' CE2' ' A' ' 22' ' ' PHE . 46.6 ttp85 -103.71 108.58 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.0 m95 -77.16 94.44 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.512 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -89.97 124.01 34.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.5 t -56.81 144.62 32.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -104.38 -36.01 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 11.2 t0 -65.19 -44.96 86.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -54.6 152.67 12.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.56 18.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.4 5.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -32.53 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -105.27 28.4 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.0 p -57.4 116.13 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 64' ' ' HIS . 12.1 mt -94.74 164.88 12.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.36 133.64 23.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.79 129.57 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.6 p -67.99 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.51 -37.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.55 96.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 73.1 m -96.58 22.24 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.492 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 54.9 p -71.77 -38.25 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -91.28 14.61 13.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 m -93.05 154.18 18.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.4 122.8 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -132.57 132.15 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -124.09 119.05 28.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 p -121.9 -175.25 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.21 -50.05 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' SD ' ' A' ' 46' ' ' MET . 18.2 mt -100.38 -53.96 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 48' ' ' LEU . 11.1 t-80 -58.48 154.75 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 37.7 mmtt -150.15 -179.63 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -78.51 -42.04 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -31.69 69.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 13.5 m170 -48.65 155.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -108.05 166.05 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.6 mt -126.11 148.42 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -114.62 115.57 44.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.75 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 38' ' ' HIS . 71.8 mt -93.78 98.13 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.726 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.38 -51.58 55.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -85.19 113.71 21.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.76 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.33 -33.9 3.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -87.09 123.56 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 23.6 tttt -120.34 142.63 48.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.0 t -68.62 125.87 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 -5.24 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.529 ' ND2' ' SG ' ' A' ' 57' ' ' CYS . 20.9 t-20 -88.47 -68.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -91.38 -43.64 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.48 26.52 4.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.6 tt -82.53 122.4 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 25.2 tt0 -152.14 136.25 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.1 Cg_endo -69.79 161.79 85.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -81.71 119.47 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.07 143.83 28.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -117.09 5.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.0 t -109.16 133.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -104.2 94.62 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 89.0 m95 -66.79 96.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.71 122.13 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -53.32 148.88 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.67 -40.4 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.71 -52.79 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.7 m -48.75 151.63 2.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.35 19.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.32 32.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -97.17 -38.92 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpt -103.74 32.17 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 p -61.91 134.83 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 47.0 mt -104.77 165.3 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -142.09 124.78 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -120.04 134.79 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.57 150.88 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.77 -33.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -66.91 -47.32 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 60.0 m -94.51 23.35 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 52.2 p -72.13 -38.79 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.9 15.75 14.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.529 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 1.8 t -89.97 164.22 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.56 108.98 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -120.75 129.85 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -125.2 124.19 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -126.83 -174.57 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -39.3 -50.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.64 -55.21 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.523 ' CG ' HD12 ' A' ' 48' ' ' LEU . 12.9 t-80 -55.67 149.37 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -148.92 -179.63 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.38 -46.05 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.36 -38.06 62.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.1 m170 -43.19 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -111.82 165.88 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 39' ' ' CYS . 66.5 mt -127.9 142.61 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.06 117.17 50.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.644 0.735 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.75 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 91.5 mt -97.85 98.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.802 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -78.37 113.43 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.7 145.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.34 -35.4 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' ' NH1' ' A' ' 36' ' ' ARG . 24.0 m-85 -86.14 148.5 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -141.2 127.36 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.25 126.55 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.72 2.43 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -97.83 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -89.18 -38.35 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.41 16.85 12.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.645 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.6 tt -70.32 115.67 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.3 tt0 -148.77 133.7 9.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.73 163.52 81.51 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.37 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -87.03 124.47 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.26 135.22 50.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.42 -121.94 7.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.1 t -107.1 122.35 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.512 ' NH1' ' CE1' ' A' ' 22' ' ' PHE . 44.4 ttp180 -96.12 96.94 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 85.5 m95 -68.35 95.38 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.532 ' HB3' HD11 ' A' ' 73' ' ' ILE . 6.9 t60 -89.46 124.35 34.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.3 t -57.75 142.2 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -99.72 -36.53 9.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 9.2 t0 -63.12 -55.82 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.2 m -45.0 153.35 0.51 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 166.85 26.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -2.07 9.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -109.56 -32.4 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.6 tpt -107.14 28.93 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -57.4 137.47 56.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.0 mt -107.11 164.65 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.38 124.66 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -124.18 125.92 45.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -70.32 148.7 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.25 -29.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.9 t -70.71 -44.33 67.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' CYS . 67.6 m -95.02 17.42 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.587 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 64.9 p -69.03 -38.33 79.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -90.96 10.58 25.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.09 160.44 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.07 117.56 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -126.66 132.29 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.64 119.58 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 p -124.19 -176.13 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.4 -46.56 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.76 -53.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' LEU . 16.5 t-80 -62.99 146.52 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 60.4 mmtt -143.38 178.23 7.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.01 -26.84 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.27 -25.81 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.9 m170 -53.78 158.17 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -106.54 163.18 13.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.1 148.2 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -116.9 114.48 39.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.5 Cg_endo -69.66 106.24 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 38' ' ' HIS . 63.6 mt -98.8 98.43 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.429 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -66.32 -39.06 89.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -79.19 115.49 18.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -93.37 138.63 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 -32.77 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.9 126.06 35.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' C ' HD11 ' A' ' 32' ' ' ILE . 18.4 tttt -121.89 139.29 53.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.24 136.19 57.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -13.62 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 57' ' ' CYS . 17.0 t-20 -80.21 -60.75 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -100.71 -47.44 4.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.4 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.2 tt -75.62 122.68 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.5 tt0 -152.24 137.96 11.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.79 160.69 87.7 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 -1.817 . . . . 0.0 112.345 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' C ' ' A' ' 23' ' ' LYS . 73.3 mt -84.39 120.17 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.97 151.41 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.15 -118.7 5.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 74' ' ' TYR . 70.7 t -110.28 127.09 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -97.72 104.06 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.3 m95 -73.52 99.19 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.7 t60 -94.55 121.99 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.7 t -55.02 145.48 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.5 -40.84 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 46.6 t0 -62.1 -55.71 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -44.35 152.31 0.51 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.77 26.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -5.44 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -105.16 -32.69 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.504 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -108.3 27.04 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 78.9 p -57.58 134.09 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' CG ' ' A' ' 64' ' ' HIS . 15.9 mt -104.14 164.34 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.57 126.48 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -121.68 134.38 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.81 145.88 44.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.4 -35.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.55 -46.5 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 51' ' ' CYS . 64.6 m -94.47 23.4 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 61.4 p -70.76 -36.77 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -93.63 14.91 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.458 ' HB3' ' ND2' ' A' ' 26' ' ' ASN . 20.7 m -90.81 157.39 17.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.74 118.76 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -128.41 132.94 48.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.52 118.71 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.0 p -121.16 -174.89 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -45.5 -43.52 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.504 HD12 ' HG2' ' A' ' 46' ' ' MET . 32.6 mt -107.05 -52.61 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.506 ' CG ' HD12 ' A' ' 48' ' ' LEU . 12.2 t-80 -59.68 148.7 32.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 38.3 mmtt -146.81 177.4 9.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.15 -38.21 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.8 -33.55 75.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.6 m170 -47.59 150.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -102.67 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.47 148.63 47.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.11 113.1 43.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.689 0.757 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.71 100.42 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 38' ' ' HIS . 54.4 mt -92.67 97.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.688 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.4 m-85 -64.88 -56.12 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.3 mmt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -79.04 113.87 17.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -93.03 139.56 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.16 -32.04 6.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.18 123.92 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.3 tttp -117.45 146.47 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.6 t -70.73 137.37 49.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.8 m-20 -88.71 -17.0 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.07 -67.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 p -94.67 -49.66 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.449 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.41 28.34 2.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 tt -77.64 123.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 19.2 tt0 -151.55 133.47 8.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.72 161.08 86.82 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.347 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 23' ' ' LYS . 96.5 mt -82.02 121.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -97.04 151.48 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.76 -124.22 6.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 74' ' ' TYR . 97.0 t -106.12 134.13 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -100.72 98.54 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.3 m95 -67.96 96.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.9 t-80 -91.1 124.29 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.35 141.04 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -99.48 -35.26 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.2 m-20 -64.07 -54.88 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.7 m -46.38 150.83 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.71 169.52 18.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -12.19 32.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -101.68 -23.4 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.914 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.6 tpt -116.59 24.52 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.8 m -57.52 130.71 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 25' ' ' ASP . 11.5 mt -103.64 164.05 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -141.03 127.14 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.21 132.38 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.45 144.81 46.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.14 -35.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.4 -46.33 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.0 m -93.34 22.69 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.1 p -70.72 -38.52 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.06 14.74 13.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.4 m -93.03 153.89 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.23 110.08 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -121.29 126.37 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.74 122.51 39.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.1 p -123.88 -175.6 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -40.84 -48.55 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.914 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -103.38 -53.68 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.449 ' CG ' HD12 ' A' ' 48' ' ' LEU . 9.9 t-160 -58.61 148.45 28.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -147.51 -179.3 6.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.51 -32.78 48.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.76 -30.31 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -50.01 157.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -107.08 158.0 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.2 mt -121.29 148.03 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.02 114.08 43.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.455 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.3 Cg_endo -69.82 97.19 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.589 ' C ' HG13 ' A' ' 35' ' ' VAL . 73.5 mt -90.45 98.4 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.785 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -66.26 -53.09 40.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -87.27 113.42 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -93.9 138.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.17 -35.82 4.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.641 ' CZ ' ' NH2' ' A' ' 36' ' ' ARG . 84.6 m-85 -85.12 128.94 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.384 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -125.99 125.66 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.0 t -56.88 126.03 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -4.89 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -88.33 -68.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.5 p -91.03 -40.61 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.66 8.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -73.89 117.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 20.6 tt0 -150.56 133.39 8.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.0 Cg_endo -69.79 162.79 83.47 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.361 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.88 129.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -107.42 135.94 48.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.94 -119.72 6.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 74' ' ' TYR . 86.7 t -108.76 130.76 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' NH2' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 ttp85 -101.15 104.74 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.461 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.3 m95 -74.16 97.48 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.3 t-80 -91.31 122.92 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -58.52 144.58 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -98.99 -38.07 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.12 -56.44 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 m -46.33 149.93 1.24 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.66 33.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -99.03 -32.1 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 63' ' ' ILE . 8.2 tpt -109.13 25.39 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m -59.46 139.44 57.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 64' ' ' HIS . 52.9 mt -113.24 164.72 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.88 130.17 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.32 132.74 54.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.4 p -72.98 147.47 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -36.67 -34.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.23 -44.84 78.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 75.4 m -93.46 22.64 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 p -75.43 -28.25 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.13 10.34 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.06 153.23 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.06 113.23 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -123.57 124.92 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -118.9 118.62 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.5 p -117.65 -178.79 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -40.08 -44.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -106.57 -54.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' CG ' HD12 ' A' ' 48' ' ' LEU . 11.2 t-80 -59.67 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -142.79 -175.19 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.62 -45.87 16.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -55.82 -31.99 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 10.6 m170 -45.26 161.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -111.9 158.27 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -120.97 150.11 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.03 113.78 39.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.461 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.78 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 38' ' ' HIS . 67.4 mt -94.85 98.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.68 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 -67.15 -48.97 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.813 0.339 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -81.85 113.42 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -96.16 132.35 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.38 -29.71 11.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 40.5 m-85 -93.68 143.68 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' C ' HD11 ' A' ' 32' ' ' ILE . 7.5 tttp -135.72 141.74 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 48.6 t -65.98 127.66 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.95 10.34 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 22.4 t-20 -104.92 -70.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.32 -44.21 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.25 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -78.23 118.82 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -151.4 133.35 8.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.68 159.04 90.1 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.401 -0.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.476 HD11 ' C ' ' A' ' 23' ' ' LYS . 70.8 mt -81.7 114.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.72 132.01 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.89 -129.01 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.7 t -100.75 128.6 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.6 ttp180 -99.82 101.62 12.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.1 m95 -72.49 93.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.1 t60 -87.53 120.53 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 147.01 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -101.93 -40.04 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.4 m-20 -60.61 -54.43 45.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -46.32 151.84 0.92 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 167.31 24.88 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.93 13.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.25 -32.99 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.673 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 tpt -107.96 31.04 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 74.4 p -59.46 140.31 56.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 64' ' ' HIS . 29.5 mt -109.08 165.02 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 127.13 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -125.14 132.38 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -73.11 145.29 46.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -36.09 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.4 t -66.78 -45.6 77.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 68.1 m -95.48 23.09 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 51.0 p -70.03 -37.77 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -92.13 14.8 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.16 155.44 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -116.29 116.02 27.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -125.99 127.08 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -117.15 118.7 33.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -120.38 -177.08 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -40.27 -50.86 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.673 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.1 mt -102.89 -51.6 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.528 ' CG ' HD12 ' A' ' 48' ' ' LEU . 12.4 t-80 -60.0 145.95 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -142.73 -175.31 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -82.12 -27.23 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.72 -24.21 60.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.5 m170 -57.4 158.15 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -107.22 165.46 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.98 142.99 51.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -111.17 115.45 52.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.8 Cg_endo -69.79 107.47 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.3 mt -100.58 99.31 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.0 m-85 -68.04 -41.13 82.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 78.6 mtp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.89 113.59 22.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -90.4 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.03 -35.95 3.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 18.5 m-85 -86.54 133.23 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.4 tttt -126.6 142.26 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 53.5 t -64.21 129.01 38.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.82 22.78 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.64 -62.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 29' ' ' ILE . 32.0 p -95.72 -40.83 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.0 31.91 3.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.4 tt -89.77 122.33 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.3 tt0 -152.21 136.98 10.62 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.76 163.46 81.77 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.365 -0.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD11 ' C ' ' A' ' 23' ' ' LYS . 72.3 mt -85.38 115.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.04 143.76 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.84 -118.76 6.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 74' ' ' TYR . 85.9 t -112.22 124.74 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.1 ttp180 -95.78 105.64 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.1 m95 -76.01 94.89 3.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.0 t60 -89.43 121.49 31.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.14 147.42 12.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -102.0 -40.81 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.1 -53.96 51.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.5 m -47.27 151.25 1.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.96 11.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -105.91 -38.59 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.604 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -104.58 32.94 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 81.9 p -61.65 137.59 58.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -106.22 164.85 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.26 121.07 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -117.89 133.05 56.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.8 p -70.83 151.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -37.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.33 -43.21 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.0 m -98.24 24.35 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.585 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 85.0 p -71.97 -37.7 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -91.27 15.58 11.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.3 m -90.77 155.3 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.7 tp -116.52 114.95 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 16.5 t-80 -125.4 131.27 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 65' ' ' LYS . 17.0 mt-10 -125.43 123.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -126.78 -174.23 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -41.15 -45.82 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.5 mt -105.32 -56.34 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.507 ' CG ' HD12 ' A' ' 48' ' ' LEU . 10.9 t-80 -58.44 145.42 38.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' C ' ' HG2' ' A' ' 60' ' ' GLU . 23.2 mmtp -140.93 -176.37 4.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 58' ' ' LEU . 12.9 pt-20 -79.78 -36.16 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.83 -34.04 77.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.7 m170 -46.2 157.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -110.14 166.07 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.1 mt -125.64 145.17 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 26.7 tt0 -111.9 116.33 49.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.753 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.71 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 38' ' ' HIS . 74.0 mt -95.44 98.69 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.604 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.2 m-85 -66.6 -50.16 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 16.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.824 0.345 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -87.07 113.5 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.45 139.33 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 -33.11 6.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -87.49 133.79 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 2.2 tmtt? -130.81 120.51 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.73 130.88 33.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.69 -11.17 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.97 -68.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.3 p -91.4 -46.85 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 116.15 20.5 5.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.6 tt -70.61 117.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 16.5 tt0 -152.08 131.17 6.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.9 Cg_endo -69.72 160.01 88.61 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.37 132.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -111.36 140.39 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.23 -118.62 6.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' TYR . 79.0 t -114.13 127.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.191 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ttp-105 -98.59 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.4 m95 -77.83 93.94 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.504 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.0 t60 -86.89 123.12 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.4 t -55.57 145.63 22.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.85 -37.55 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.36 -54.72 32.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.3 m -46.73 151.74 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.96 22.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -9.12 25.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.11 -36.07 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.72 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -105.96 29.97 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -57.88 140.16 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.4 mt -110.12 164.99 12.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -142.7 131.91 23.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -130.55 126.08 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -67.51 148.18 51.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.6 -37.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -43.27 98.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' CYS . 83.3 m -96.03 20.02 10.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.1 p -70.42 -37.26 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.52 13.36 15.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.9 154.99 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -116.55 116.21 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -125.87 131.28 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.7 119.37 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.2 p -120.65 -174.44 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -42.79 -48.93 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.72 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -101.49 -56.53 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CG ' HD12 ' A' ' 48' ' ' LEU . 11.1 t-80 -55.2 153.2 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -150.67 -178.49 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.53 -38.47 40.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.87 -34.15 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -45.36 164.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.25 165.87 12.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -127.48 147.12 50.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 7.7 tt0 -115.88 115.16 41.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.77 102.87 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 38' ' ' HIS . 64.3 mt -95.39 98.69 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.834 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.9 m-85 -65.5 -57.03 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.34 114.08 17.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -94.66 144.09 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.94 -35.18 4.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -87.67 131.64 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.933 0.397 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 16.2 tttt -123.27 141.95 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.8 t -64.25 130.58 44.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.11 23.11 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 57' ' ' CYS . 19.4 t-20 -121.16 -62.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.8 p -96.92 -40.42 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.51 32.54 3.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.3 tt -89.25 121.52 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 21.3 tt0 -152.31 136.2 9.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.05 84.85 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.343 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.1 mt -82.63 120.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.62 137.62 42.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.65 -118.29 6.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 74' ' ' TYR . 90.0 t -110.65 124.64 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 ttp85 -95.13 103.31 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.2 m95 -74.36 97.39 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.7 t60 -91.97 119.19 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 70' ' ' LEU . 49.2 t -51.21 148.77 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -103.12 -41.13 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.5 -52.72 64.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -49.16 151.51 2.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -11.17 30.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -98.64 -38.06 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.803 ' HG2' HD12 ' A' ' 63' ' ' ILE . 9.1 tpt -103.91 33.7 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 90.2 p -62.62 135.71 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.57 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.4 mt -105.02 165.43 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.08 126.69 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -123.56 132.11 53.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -70.09 150.24 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -40.05 -32.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -68.41 -43.34 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' CYS . 74.4 m -96.98 24.29 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 58.0 p -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.43 16.42 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 26' ' ' ASN . 56.4 m -92.33 154.47 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.5 tp -114.72 114.73 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -125.33 130.26 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 66' ' ' GLU . 12.2 mt-10 -122.94 123.21 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.2 p -126.09 -177.01 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -39.05 -48.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.803 HD12 ' HG2' ' A' ' 46' ' ' MET . 26.7 mt -105.11 -53.64 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.57 ' CG ' HD12 ' A' ' 48' ' ' LEU . 12.6 t-80 -58.95 146.38 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -142.5 179.39 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 pt-20 -75.5 -39.93 57.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -60.55 -35.39 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.0 m170 -43.68 160.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -111.18 164.96 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 39' ' ' CYS . 80.9 mt -125.88 143.48 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 21.5 tt0 -109.97 115.81 54.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 38' ' ' HIS . 73.0 mt -96.28 98.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -65.37 -50.12 66.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 22.2 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -165.7 144.14 6.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 110.819 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -173.86 129.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 159.88 24.19 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -140.34 159.84 41.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -168.79 155.26 6.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.2 -141.32 11.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -128.27 83.93 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -172.03 138.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.2 ptt? 38.25 36.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -73.44 -52.55 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 86.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' SER . 5.1 tp10 -170.53 158.12 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' GLU . 42.4 t -35.16 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.56 -44.2 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -148.09 152.67 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.739 HG21 ' HA ' ' A' ' 75' ' ' ARG . 70.8 t -64.7 132.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -106.14 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -87.17 113.5 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -93.26 139.26 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.32 -31.98 6.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.91 121.76 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 16.5 tttt -117.63 142.73 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.2 t -65.45 125.18 24.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 22.57 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -120.44 -60.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.6 p -97.97 -39.05 9.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.01 29.92 4.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.471 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.8 tt -88.14 121.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.5 tt0 -152.14 138.07 11.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.72 161.82 85.28 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.38 -0.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -82.62 119.27 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -97.66 151.65 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.38 -121.1 5.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 74' ' ' TYR . 84.1 t -104.79 133.13 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -104.76 99.99 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.534 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.3 m95 -69.1 100.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.1 t60 -95.34 121.91 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -54.86 145.23 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -100.66 -40.43 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 12.5 t0 -60.88 -53.9 51.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -48.19 152.14 1.59 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.09 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.96 36.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.393 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -95.12 -39.23 10.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.723 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -102.02 29.16 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.3 p -60.55 131.78 51.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' CG ' ' A' ' 64' ' ' HIS . 20.4 mt -102.36 164.74 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.18 125.12 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -119.44 141.01 49.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' CYS . 26.5 p -76.35 148.58 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -35.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.61 -43.07 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.2 m -97.92 24.25 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.6 p -74.87 -30.12 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -96.85 11.56 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.2 160.31 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.2 tp -120.21 116.69 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 64.3 t60 -124.05 133.0 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -125.13 118.65 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.406 ' CG2' ' CD2' ' A' ' 59' ' ' HIS . 7.0 p -123.11 -174.12 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -42.77 -47.65 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.7 mt -103.71 -56.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 50.3 t60 -56.55 146.07 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmtt -143.45 -179.94 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.7 pt-20 -76.29 -34.13 59.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.4 -33.87 76.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.1 m170 -47.54 158.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -112.79 162.39 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -123.24 143.62 49.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -110.35 116.96 52.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.465 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.6 Cg_endo -69.75 100.05 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 38' ' ' HIS . 79.8 mt -93.07 97.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.734 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.22 -63.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.739 ' HA ' HG21 ' A' ' 17' ' ' VAL . 81.4 mtt180 -111.53 151.69 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 t -85.6 126.84 34.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -108.05 121.13 44.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.1 -164.17 9.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.8 14.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 t 51.96 41.39 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.2 p -41.78 158.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.494 -179.959 . . . . . . . . 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 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -93.75 106.93 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -90.98 134.74 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.94 57.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -103.13 144.51 31.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -139.22 141.65 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.98 75.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' GLN . 10.6 pt20 -127.1 170.11 12.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLN . 75.4 mm-40 36.13 43.55 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.9 ptp -102.71 41.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -161.62 150.09 15.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.36 16.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -81.47 141.3 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 t -133.22 103.04 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 16' ' ' PHE . . . 89.11 -117.26 4.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 18.8 m-85 -147.66 156.21 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.65 HG11 ' HA ' ' A' ' 75' ' ' ARG . 58.1 t -95.45 140.69 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.84 99.6 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.1 113.5 20.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.49 148.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.27 -33.74 4.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -90.53 130.92 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.0 tttp -122.91 145.29 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -68.37 146.26 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.31 -20.13 17.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -75.98 -57.82 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.414 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.8 p -103.49 -46.82 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 114.78 20.62 5.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -69.63 122.56 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.1 tt0 -151.9 133.19 7.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.75 161.38 86.28 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.347 -0.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -81.76 117.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 31' ' ' PRO . 1.7 mp0 -96.39 133.23 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.16 -118.49 5.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.1 t -118.9 126.39 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -92.71 110.2 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.59 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.4 m95 -77.92 95.38 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.591 ' HB3' HD11 ' A' ' 73' ' ' ILE . 11.6 t60 -87.05 121.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.45 ' HA ' HD23 ' A' ' 70' ' ' LEU . 28.8 t -57.44 144.26 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.05 -37.53 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.2 m-20 -62.42 -52.01 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.6 m -49.55 151.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.18 19.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -7.11 20.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -104.96 -28.73 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD12 ' A' ' 63' ' ' ILE . 11.4 tpt -110.44 28.75 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.7 p -57.6 131.01 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 64' ' ' HIS . 11.4 mt -102.39 164.5 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.08 127.23 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -126.85 124.35 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -65.61 144.99 56.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.35 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.35 -46.92 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 74.2 m -90.62 21.13 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.59 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 90.3 p -72.98 -34.72 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.27 8.28 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.8 m -89.69 159.13 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.01 115.12 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.3 t-80 -126.49 128.28 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.82 122.05 38.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 p -121.4 -175.45 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -42.24 -46.76 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.924 HD12 ' HG2' ' A' ' 46' ' ' MET . 20.8 mt -103.95 -54.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CG ' HD12 ' A' ' 48' ' ' LEU . 21.3 t60 -57.32 150.95 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -149.73 -179.32 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.68 -29.74 40.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -24.6 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.3 m170 -55.82 161.05 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.51 165.05 11.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' CYS . 84.9 mt -129.24 146.97 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 28.9 tt0 -114.3 115.93 44.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.1 Cg_endo -69.79 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.649 ' C ' HG13 ' A' ' 35' ' ' VAL . 53.0 mt -94.4 98.33 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.926 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.1 m-85 -66.72 -50.64 62.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.65 ' HA ' HG11 ' A' ' 17' ' ' VAL . 63.7 mtt-85 -114.22 153.56 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -66.54 124.33 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.8 p -99.48 43.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.58 150.47 16.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.16 6.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -110.96 160.34 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 m -70.21 105.71 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.447 -179.954 . . . . . . . . 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 -0.333 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -76.74 154.17 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -162.74 154.99 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.82 140.28 7.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -101.03 -33.28 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -169.59 159.46 8.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.91 52.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' GLN . 6.7 pt20 37.4 41.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 40.5 mmm -127.38 88.0 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -164.28 142.43 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.92 108.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' SER . 8.4 tp10 -170.41 167.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLU . 2.1 t -35.65 126.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.82 -53.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -143.95 168.5 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -82.75 126.13 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -98.26 100.39 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -80.63 113.55 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.46 135.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.9 -27.63 19.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 21.4 tttt -121.65 143.21 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -69.93 141.94 53.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.03 -14.66 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -80.89 -55.14 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.629 ' SG ' HG22 ' A' ' 29' ' ' ILE . 28.0 p -104.42 -46.23 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.15 24.13 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.629 HG22 ' SG ' ' A' ' 27' ' ' CYS . 6.2 tt -76.3 125.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.2 tt0 -151.87 132.26 7.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.69 164.7 78.33 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.388 -0.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.7 124.25 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -99.32 144.04 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.8 -123.01 6.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.5 t -105.82 136.65 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -103.54 97.58 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.525 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 92.8 m95 -67.47 98.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -94.25 121.97 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 t -54.22 146.35 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -101.06 -40.75 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 5.2 t0 -63.62 -54.81 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -44.87 152.29 0.57 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.14 25.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -9.08 25.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -100.88 -38.51 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.721 ' HG2' HD12 ' A' ' 63' ' ' ILE . 2.9 tpt -102.97 25.81 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -58.04 129.73 43.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD12 ' CG ' ' A' ' 64' ' ' HIS . 8.6 mt -98.56 162.95 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -140.7 129.08 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -125.42 131.69 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.4 p -71.14 145.62 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -37.03 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 t -70.97 -45.36 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 82.9 m -94.21 22.95 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.525 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 47.1 p -72.26 -38.62 68.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.09 11.39 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.0 154.52 18.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.15 116.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 14.2 t-80 -124.71 130.1 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -122.64 118.69 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 p -121.19 -176.46 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -43.06 -45.32 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -104.92 -51.02 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 22.5 t60 -60.35 149.71 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -149.04 179.13 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.99 -38.41 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.73 -29.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB3' ' A' ' 41' ' ' ASP . 14.7 m170 -53.07 152.88 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -104.35 165.24 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -125.48 148.67 48.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -114.63 114.11 44.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.74 101.51 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 72.1 mt -94.78 98.09 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.7 m-85 -67.57 -46.08 73.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.06 148.42 43.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -64.71 110.14 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.5 p -100.13 153.23 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.81 -150.17 26.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 123.76 10.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.1 m -96.75 125.52 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' GLY . 8.7 t -66.6 130.41 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 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 1.452 -0.285 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -73.81 171.99 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -163.36 152.42 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.58 175.5 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -108.08 154.89 21.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -78.76 -44.98 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.82 -179.89 21.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -92.68 111.37 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -128.02 -43.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 ttt -63.81 96.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -86.53 113.67 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.89 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -109.36 118.94 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.7 p -70.43 120.68 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.3 -68.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.77 158.8 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 75' ' ' ARG . 79.4 t -100.45 138.02 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -112.49 112.33 23.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.95 113.56 25.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.8 t -94.15 132.87 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.3 -32.26 7.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 36' ' ' ARG . 60.6 m-85 -91.45 124.34 35.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HE3' ' CA ' ' A' ' 28' ' ' GLY . 8.7 tttp -117.25 145.98 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.478 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.0 t -69.89 140.81 53.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.1 -17.28 22.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -76.79 -59.03 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.9 p -102.38 -48.85 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 116.5 26.54 3.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.22 126.45 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.6 tt0 -151.77 134.21 8.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.79 166.94 72.83 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.332 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' C ' ' A' ' 23' ' ' LYS . 82.5 mt -86.0 114.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.34 145.81 24.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.85 -124.52 7.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 74' ' ' TYR . 78.0 t -105.5 134.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 22' ' ' PHE . 36.8 ttp85 -101.25 97.36 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.2 m95 -67.33 96.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.2 t-80 -91.56 123.9 35.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 t -56.43 143.38 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -101.48 -33.9 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 45.5 t0 -66.67 -55.93 12.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.4 m -44.52 151.44 0.59 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.12 22.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.96 -26.72 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.767 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -114.33 27.1 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 m -57.23 136.97 56.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 64' ' ' HIS . 22.6 mt -110.26 164.96 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -143.52 128.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -122.59 134.34 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -72.36 145.13 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.79 -33.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.2 t -66.25 -45.92 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 78.6 m -94.03 22.73 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.568 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.5 p -71.15 -39.62 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.09 14.74 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.9 m -92.84 154.91 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -115.93 111.28 20.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 20.9 t60 -119.91 131.1 55.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -124.84 118.52 26.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.4 p -122.77 -174.64 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -41.83 -49.13 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.767 HD12 ' HG2' ' A' ' 46' ' ' MET . 43.1 mt -102.52 -56.3 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 61.5 t60 -58.56 149.01 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -147.18 -177.64 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 58' ' ' LEU . 7.3 pt-20 -76.77 -40.57 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.14 -35.46 73.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 14.8 m170 -46.48 153.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.86 164.58 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.12 143.75 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -112.08 114.9 50.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.78 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 38' ' ' HIS . 66.3 mt -94.69 98.38 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.772 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.41 -47.69 72.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.587 ' HA ' HG11 ' A' ' 17' ' ' VAL . 9.6 mmm180 -118.81 147.51 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' SER . 93.1 p -58.74 113.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' SER . 94.8 p 36.27 40.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -136.93 84.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 116.21 4.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.343 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.9 t -81.34 106.42 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' GLY . 88.4 p -111.85 96.57 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 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 1.45 -0.387 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -81.5 96.21 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -60.12 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.68 -128.54 36.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -113.93 132.96 55.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.82 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -134.22 127.88 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.37 174.18 13.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -128.16 151.71 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.81 -39.8 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -86.4 50.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -100.93 -55.01 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 155.43 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' SER . 6.0 mm-40 -69.14 168.98 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLU . 55.2 m -37.49 -57.1 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.14 -60.88 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.31 152.23 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 75' ' ' ARG . 89.7 t -76.75 126.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -97.42 101.01 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -85.66 113.59 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.6 t -94.25 139.67 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -24.85 29.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -101.45 127.65 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 7.5 tttp -118.99 144.08 46.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.448 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.5 t -67.31 136.84 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -89.98 -14.81 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 57' ' ' CYS . 17.8 t-20 -79.99 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -96.1 -48.01 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.92 19.25 4.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.9 tt -70.76 123.46 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 24.0 tt0 -152.0 134.52 8.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.72 163.23 82.26 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.385 -0.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -83.44 121.11 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.12 149.97 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . 83.54 -119.56 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ILE . 54.0 t -106.05 136.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.086 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -105.08 94.3 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.7 m95 -65.78 95.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.0 t60 -92.46 121.99 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.49 146.97 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.86 -34.95 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.487 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 42.5 t0 -66.43 -52.69 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -46.96 152.89 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.85 27.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.33 -34.8 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.862 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -105.01 29.7 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -58.04 133.89 55.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.1 mt -105.2 165.06 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.38 130.85 18.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.78 134.96 49.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.6 p -72.95 143.88 47.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -34.02 -34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -65.2 -48.21 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 86.2 m -90.41 22.61 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.54 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.0 p -72.65 -27.42 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -100.93 10.41 41.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 26' ' ' ASN . 57.2 m -90.19 155.51 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.33 119.63 36.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -128.35 133.53 48.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.06 118.55 26.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.5 p -121.44 -175.11 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -44.03 -45.8 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.862 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.4 mt -105.28 -54.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.583 ' CG ' HD12 ' A' ' 48' ' ' LEU . 68.4 t60 -60.33 143.49 52.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -139.74 -176.23 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.62 -26.32 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.17 -22.73 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.487 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 15.0 m170 -57.63 153.75 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -104.45 160.88 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.22 148.54 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.31 115.21 42.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.664 0.745 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.79 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 38' ' ' HIS . 72.8 mt -95.32 98.31 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.521 ' O ' HG21 ' A' ' 17' ' ' VAL . 2.8 m-85 -64.99 -50.7 65.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.639 ' HA ' HG11 ' A' ' 17' ' ' VAL . 17.4 mmm180 -113.55 151.57 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -59.67 139.0 57.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -78.74 51.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.53 153.95 20.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 86.78 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -107.28 177.09 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.4 p -47.0 144.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.486 179.999 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -60.52 117.47 5.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -168.72 177.43 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.83 104.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -91.81 93.05 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -135.0 153.7 51.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.06 51.73 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.5 122.15 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -81.38 114.11 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 ptp -153.36 124.12 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -154.49 -176.8 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 67.87 47.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -82.18 75.44 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -175.0 177.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.796 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.11 -147.44 19.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -143.63 176.82 8.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.432 HG11 ' HA ' ' A' ' 75' ' ' ARG . 83.9 t -111.29 129.27 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -113.56 104.26 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.87 113.51 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -90.31 135.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.44 -32.47 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' NE ' ' A' ' 36' ' ' ARG . 37.0 m-85 -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.5 tttp -117.2 147.6 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.9 t -70.19 131.62 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.67 27.04 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.79 -62.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.63 -34.95 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.85 30.82 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.6 tt -86.14 123.83 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.4 tt0 -151.89 133.71 8.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.8 165.35 76.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.348 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.431 HD11 ' C ' ' A' ' 23' ' ' LYS . 88.4 mt -83.78 121.66 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mp0 -99.73 141.82 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.86 -122.58 7.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.781 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.0 t -108.5 128.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' NE ' ' CG ' ' A' ' 22' ' ' PHE . 28.3 ttp85 -96.75 108.26 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 72' ' ' PRO . 90.9 m95 -77.97 91.93 4.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.551 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.5 t-80 -85.72 118.47 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.5 t -52.2 148.15 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -102.93 -40.47 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -62.29 -56.2 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 150.63 0.41 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 53.8 Cg_endo -69.82 169.29 19.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.61 29.0 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.14 -28.97 11.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.898 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.0 tpt -111.93 23.16 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 m -57.38 128.64 38.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 64' ' ' HIS . 13.9 mt -101.15 165.06 11.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.92 128.33 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -120.71 145.74 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' CYS . 24.5 p -76.98 149.82 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -37.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 t -64.53 -41.56 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 76.6 m -98.06 23.31 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 53.9 p -73.92 -35.41 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.46 14.66 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -92.47 154.76 18.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -115.53 110.53 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 19.2 t-80 -125.28 123.8 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -118.77 120.81 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -119.6 -174.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -39.66 -49.75 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.898 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -102.5 -56.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 14.9 t60 -53.46 153.0 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -153.33 178.94 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.11 -38.18 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -61.7 -34.73 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.52 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.7 m170 -46.89 156.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -107.18 165.39 11.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.2 mt -126.7 143.86 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.95 113.06 57.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.68 99.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 38' ' ' HIS . 58.8 mt -93.49 98.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.781 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.2 m-85 -67.7 -48.87 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.432 ' HA ' HG11 ' A' ' 17' ' ' VAL . 14.9 mmt180 -118.26 156.73 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 t -79.48 102.73 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -96.72 139.69 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -159.41 28.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.62 8.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.3 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -133.81 169.15 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -153.28 140.19 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.489 -179.968 . . . . . . . . 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 -0.341 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -145.8 116.47 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -149.43 149.6 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.98 89.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -127.54 107.78 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -90.55 168.35 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 69.43 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -80.61 165.08 22.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.64 134.56 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.2 ttm -168.31 118.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.83 160.46 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.61 168.68 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -45.67 129.39 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -44.33 -48.74 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.49 -66.31 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -131.98 160.71 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.67 131.25 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -104.09 101.31 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -84.79 113.47 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.97 132.04 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.64 -33.61 6.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -87.98 141.87 28.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 7.5 tttp -134.2 142.95 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.2 t -68.68 130.39 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.84 18.71 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' ND2' ' SG ' ' A' ' 57' ' ' CYS . 21.9 t-20 -117.46 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.6 p -91.09 -29.62 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.9 30.47 8.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -85.41 122.24 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.9 tt0 -152.17 134.08 8.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.4 Cg_endo -69.81 163.44 81.94 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.373 0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -82.2 125.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -103.28 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.6 -125.02 6.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 74' ' ' TYR . 69.8 t -108.02 123.04 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -90.6 111.29 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.6 m95 -81.13 96.41 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.589 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -89.69 119.23 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' HA ' HD23 ' A' ' 70' ' ' LEU . 38.3 t -52.56 148.76 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -105.62 -39.96 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.74 -49.68 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.28 152.82 5.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.38 24.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.93 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.45 -28.87 7.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 tpt -110.28 30.38 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 91.0 p -60.46 141.94 55.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -112.03 164.92 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -139.81 131.18 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -132.16 128.35 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.8 p -68.85 146.9 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.1 -33.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 5.1 t -67.98 -47.0 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 61.4 m -94.78 23.97 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.4 p -73.29 -37.08 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.09 15.7 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.44 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 1.7 p -85.86 162.97 18.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 66' ' ' GLU . 9.3 tp -120.42 109.39 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.587 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 35.5 t60 -122.05 127.08 49.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -124.14 120.37 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -123.81 -175.62 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -42.12 -42.22 2.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.6 mt -109.25 -51.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CG ' HD12 ' A' ' 48' ' ' LEU . 23.8 t60 -61.17 151.24 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 42.6 mmtt -150.84 177.26 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.627 ' HB2' HD11 ' A' ' 58' ' ' LEU . 9.9 pt-20 -72.28 -42.17 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.96 -32.81 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 10.3 m170 -47.81 151.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -101.87 166.34 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 39' ' ' CYS . 87.0 mt -129.68 141.64 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -108.09 114.23 59.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.3 Cg_endo -69.73 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 38' ' ' HIS . 56.7 mt -94.9 99.16 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.88 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -67.44 -55.3 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -112.76 161.68 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 t -92.28 90.15 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -76.58 120.07 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.03 176.73 31.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.32 9.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.5 t -76.46 97.23 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -83.59 107.46 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.491 -179.948 . . . . . . . . 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 -0.352 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -106.53 144.55 33.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -81.57 44.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.77 -112.91 3.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m 56.31 41.62 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -65.4 144.05 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.7 94.08 0.49 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -150.49 151.06 32.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.73 85.87 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.21 149.57 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -109.28 126.01 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.22 152.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -101.22 88.54 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -143.29 160.03 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.81 -95.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -110.36 172.01 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 74' ' ' TYR . 45.7 t -112.4 137.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -110.4 100.73 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -87.22 113.4 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.16 133.06 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.48 -31.87 8.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -91.87 120.37 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.9 tttt -115.28 139.18 50.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.97 127.5 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -89.6 23.62 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.3 t30 -122.3 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.12 -39.08 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 30.63 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.9 tt -89.55 120.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.7 tt0 -152.37 138.8 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.47 83.97 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.87 113.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -98.6 115.41 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.79 -122.98 4.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG22 ' HA ' ' A' ' 74' ' ' TYR . 58.5 t -107.8 124.76 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -93.2 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.9 m95 -81.75 96.68 7.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.569 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.1 t60 -88.6 122.96 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -60.45 145.24 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -97.42 -38.26 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -62.74 -51.33 67.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -51.31 150.04 6.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HB2' ' CD ' ' A' ' 45' ' ' GLU . 53.9 Cg_endo -69.71 168.03 22.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 43' ' ' PRO . 10.0 pm0 -104.69 -32.28 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.816 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.2 tpt -108.55 31.71 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -58.43 149.41 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 34.2 mt -120.08 164.64 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 2.3 p-10 -142.05 126.47 17.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -122.67 131.26 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' CYS . 25.4 p -69.93 144.79 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -35.56 -37.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.17 -45.72 87.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 73.1 m -93.72 20.52 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 27.7 p -69.49 -39.14 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -92.3 13.3 19.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.26 164.27 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -120.55 111.52 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -123.48 128.15 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -119.5 126.8 52.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -126.69 -178.62 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -41.25 -47.02 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.816 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.8 mt -105.58 -50.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 48.5 t60 -61.19 151.08 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 33.2 mmtt -146.61 -175.59 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.6 pt-20 -78.87 -45.26 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -36.13 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 11.1 m170 -41.76 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -107.34 164.17 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.0 mt -128.24 146.95 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -116.09 114.51 41.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.4 Cg_endo -69.73 101.69 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.632 2.222 . . . . 0.0 112.397 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.0 mt -95.18 101.9 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.808 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -69.7 -51.85 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 1.5 mpt_? -118.97 149.14 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' SER . 10.2 t -87.34 93.53 9.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' SER . 1.1 t -35.19 -63.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.55 90.49 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 173.79 10.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 t -144.17 119.45 10.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -169.66 177.45 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.498 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -102.5 126.97 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -49.84 -38.92 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.47 -175.92 50.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -127.54 129.39 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -124.45 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.46 172.15 18.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -148.77 170.19 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' MET . 9.5 tp60 -160.36 141.62 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -35.96 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -163.51 122.76 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.72 127.22 32.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -141.69 139.52 32.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.3 m -61.87 -49.01 77.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.94 -100.35 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -136.63 151.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.33 135.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.05 100.22 8.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -79.26 113.38 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.5 145.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.4 -35.4 4.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -86.46 154.76 20.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.662 ' C ' HD11 ' A' ' 32' ' ' ILE . 9.7 tttp -147.95 141.99 25.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.621 ' N ' HD11 ' A' ' 32' ' ' ILE . 48.9 t -67.12 126.38 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.17 -8.2 59.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.47 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -85.39 -69.54 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -90.96 -47.15 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.74 29.86 2.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.457 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.4 tt -82.31 120.64 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -150.49 136.51 10.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.743 . . . . 0.0 110.853 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.81 158.09 91.52 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.369 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' C ' ' A' ' 23' ' ' LYS . 81.6 mt -83.99 119.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -105.18 141.18 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.64 -120.31 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.6 t -112.37 117.78 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -87.91 101.91 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.8 m95 -74.44 96.59 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -92.27 120.25 32.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' HD23 ' A' ' 70' ' ' LEU . 35.5 t -50.36 149.82 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -107.5 -38.56 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.3 m-20 -62.84 -50.94 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.0 m -49.94 150.9 3.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.6 18.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.6 4.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -111.84 -34.47 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -103.35 24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.9 p -57.26 132.55 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD12 ' CD2' ' A' ' 64' ' ' HIS . 29.8 mt -111.96 163.97 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.5 129.71 31.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.97 132.61 54.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.2 p -73.86 145.65 44.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.63 -35.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -64.67 -45.97 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 69.8 m -94.81 22.58 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.3 p -69.42 -37.88 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.65 15.48 19.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.63 164.63 15.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.2 tp -120.63 109.41 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -125.43 118.65 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -113.8 125.16 53.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.8 p -122.25 -174.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.3 -49.97 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 46' ' ' MET . 42.5 mt -104.67 -54.24 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 13.6 t60 -52.04 154.03 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 31.4 mmtt -153.08 176.96 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.7 pt-20 -73.75 -43.94 57.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.3 -34.99 67.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 12.9 m170 -46.46 161.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.88 166.87 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 39' ' ' CYS . 85.3 mt -129.55 142.22 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.4 tt0 -109.14 114.11 58.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.537 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.78 101.88 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.519 HD11 ' HB3' ' A' ' 38' ' ' HIS . 65.6 mt -93.91 98.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.622 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.7 m-85 -65.68 -48.15 73.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -123.67 147.29 47.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.1 t -64.64 139.08 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.2 p -43.27 -62.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.27 -72.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -46.1 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -51.8 -43.6 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -53.81 -62.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.495 -179.979 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -64.26 139.35 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -149.79 157.87 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.77 170.66 25.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -145.63 152.3 39.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -164.91 114.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 151.11 6.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 152.38 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -119.03 -44.32 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.9 ttt -130.17 126.21 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -51.48 164.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.27 40.61 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.06 -59.67 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -151.6 140.14 20.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.48 -46.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.9 147.64 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -91.45 144.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.99 99.56 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -82.1 113.48 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -95.76 137.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.22 -35.11 5.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.34 128.89 35.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -122.04 129.46 52.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -57.44 124.86 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.17 13.16 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -110.43 -69.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.579 ' SG ' HG22 ' A' ' 29' ' ' ILE . 30.3 p -90.66 -26.25 19.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 21.95 31.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -76.95 116.25 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.1 tt0 -148.76 135.72 10.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.7 163.22 82.23 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.42 127.91 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -105.19 150.38 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.5 -120.58 5.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.8 t -106.68 130.19 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 49.1 ttp85 -100.56 99.8 10.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 87.8 m95 -68.62 97.81 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.3 t60 -92.96 123.75 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -55.14 143.47 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -101.1 -36.61 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 31.3 t0 -64.04 -55.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 m -43.44 153.86 0.36 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.31 28.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.34 8.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -110.2 -33.39 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG2' HD12 ' A' ' 63' ' ' ILE . 5.9 tpt -106.85 29.87 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 p -57.94 139.05 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' CG ' ' A' ' 64' ' ' HIS . 21.5 mt -110.5 164.87 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' HB3' ' CG ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -143.96 127.43 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.0 138.23 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' CYS . 19.6 p -73.53 148.25 43.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.82 -34.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 t -66.58 -41.21 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 77.3 m -98.18 22.8 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 69.0 p -69.9 -40.23 75.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.07 15.32 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.2 m -91.15 155.94 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -117.41 113.17 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.4 t60 -123.35 131.81 53.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.27 118.59 26.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.9 p -121.48 -174.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -50.79 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -101.07 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.561 ' CG ' HD12 ' A' ' 48' ' ' LEU . 59.7 t60 -58.2 147.38 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 22.7 mmtp -143.8 -176.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -77.59 -41.79 37.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -34.9 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.7 m170 -46.21 153.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -106.34 164.6 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -125.03 147.99 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.49 115.38 42.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.2 Cg_endo -69.76 99.84 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 38' ' ' HIS . 46.6 mt -92.89 99.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.713 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -67.31 -45.12 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -120.11 146.35 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -73.36 137.43 44.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -67.77 172.83 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.05 -155.67 16.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -5.45 16.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -85.52 41.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.9 p -100.3 43.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.51 -179.998 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -85.05 124.5 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -47.86 150.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -174.46 14.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -113.47 118.06 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -99.53 154.97 17.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.88 139.7 3.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.51 151.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -131.62 171.86 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 91.0 mtp -90.36 89.77 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -158.73 170.14 22.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.45 133.8 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -156.27 168.23 27.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 t -88.59 129.83 35.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.18 -64.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -128.41 152.12 48.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.1 t -100.97 132.49 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -108.29 100.04 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -77.65 115.09 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.18 136.2 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.89 -35.55 4.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' NH2' ' A' ' 36' ' ' ARG . 93.0 m-85 -85.82 133.74 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 1.7 tmtt? -129.17 128.28 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 37.5 t -59.34 124.25 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.74 3.05 30.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.9 t-20 -97.06 -69.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.8 p -91.56 -34.44 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 102.62 20.14 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -74.73 115.86 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -149.01 134.36 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.71 161.8 85.3 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.325 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.4 mt -82.73 127.04 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -103.59 149.11 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.05 -119.67 5.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.726 HG22 ' HA ' ' A' ' 74' ' ' TYR . 68.9 t -107.7 132.57 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' NH2' ' CE2' ' A' ' 22' ' ' PHE . 46.6 ttp85 -103.71 108.58 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.0 m95 -77.16 94.44 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.512 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -89.97 124.01 34.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.5 t -56.81 144.62 32.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -104.38 -36.01 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 11.2 t0 -65.19 -44.96 86.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -54.6 152.67 12.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.56 18.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.4 5.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -32.53 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -105.27 28.4 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.0 p -57.4 116.13 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 64' ' ' HIS . 12.1 mt -94.74 164.88 12.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.36 133.64 23.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.79 129.57 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.6 p -67.99 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.51 -37.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.55 96.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 73.1 m -96.58 22.24 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.492 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 54.9 p -71.77 -38.25 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -91.28 14.61 13.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 m -93.05 154.18 18.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.4 122.8 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.5 t-80 -132.57 132.15 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -124.09 119.05 28.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 p -121.9 -175.25 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.21 -50.05 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' SD ' ' A' ' 46' ' ' MET . 18.2 mt -100.38 -53.96 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 48' ' ' LEU . 42.5 t60 -58.48 154.75 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 37.7 mmtt -150.15 -179.63 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -78.51 -42.04 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -31.69 69.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 13.5 m170 -48.65 155.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -108.05 166.05 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.6 mt -126.11 148.42 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -114.62 115.57 44.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.75 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 38' ' ' HIS . 71.8 mt -93.78 98.13 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.726 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.38 -51.58 55.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -119.4 140.78 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 141.65 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -92.9 149.31 21.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.56 -173.89 34.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.78 13.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.9 p -122.65 93.37 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -117.17 90.77 3.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.488 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -45.93 -45.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -79.97 136.0 36.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.64 159.98 13.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -46.4 122.89 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -90.28 -58.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.61 173.99 45.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.82 140.36 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.71 0.291 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -82.36 149.79 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 71.5 mmm -115.28 106.43 14.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -30.06 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.84 135.35 34.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -84.46 -44.42 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -97.78 146.37 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.74 -66.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -140.24 155.5 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.528 HG11 ' HA ' ' A' ' 75' ' ' ARG . 95.9 t -80.27 124.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.83 99.54 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -85.19 113.71 21.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.76 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.33 -33.9 3.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -87.09 123.56 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 23.6 tttt -120.34 142.63 48.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.0 t -68.62 125.87 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 -5.24 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -88.47 -68.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -91.38 -43.64 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.48 26.52 4.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.6 tt -82.53 122.4 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 25.2 tt0 -152.14 136.25 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.1 Cg_endo -69.79 161.79 85.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -81.71 119.47 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.07 143.83 28.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -117.09 5.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.0 t -109.16 133.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -104.2 94.62 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 89.0 m95 -66.79 96.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.71 122.13 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -53.32 148.88 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.67 -40.4 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.71 -52.79 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.7 m -48.75 151.63 2.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.35 19.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.32 32.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -97.17 -38.92 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpt -103.74 32.17 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 p -61.91 134.83 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 47.0 mt -104.77 165.3 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -142.09 124.78 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -120.04 134.79 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.57 150.88 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.77 -33.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -66.91 -47.32 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 60.0 m -94.51 23.35 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 52.2 p -72.13 -38.79 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.9 15.75 14.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.97 164.22 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.56 108.98 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.604 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.4 t60 -120.75 129.85 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -125.2 124.19 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -126.83 -174.57 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -39.3 -50.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.64 -55.21 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 46.9 t60 -55.67 149.37 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -148.92 -179.63 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.38 -46.05 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.36 -38.06 62.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.1 m170 -43.19 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -111.82 165.88 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 39' ' ' CYS . 66.5 mt -127.9 142.61 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.06 117.17 50.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.644 0.735 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.75 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 91.5 mt -97.85 98.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' O ' HG21 ' A' ' 17' ' ' VAL . 2.6 m-85 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.528 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.4 ptt180 -129.04 145.55 51.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.0 p -60.59 142.96 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' SER . 93.9 p -38.34 154.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.26 -155.4 52.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.15 22.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 p -122.74 152.91 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.1 t -92.62 81.57 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.47 -179.982 . . . . . . . . 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 -0.3 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -73.28 131.65 42.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -111.9 99.55 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.01 63.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -106.63 173.4 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -85.61 137.04 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.54 141.21 38.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -134.14 168.75 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -82.03 135.59 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 ttt -171.27 139.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 67.83 41.06 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 154.72 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -112.53 147.9 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.0 p -108.57 123.38 48.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -84.82 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -144.72 155.25 43.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' A' ' 75' ' ' ARG . 64.8 t -103.96 141.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.02 100.35 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -78.37 113.43 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.7 145.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.34 -35.4 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' ' NH1' ' A' ' 36' ' ' ARG . 24.0 m-85 -86.14 148.5 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -141.2 127.36 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.25 126.55 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.72 2.43 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -97.83 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -89.18 -38.35 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.41 16.85 12.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.645 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.6 tt -70.32 115.67 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.3 tt0 -148.77 133.7 9.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.73 163.52 81.51 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.37 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -87.03 124.47 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.26 135.22 50.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.42 -121.94 7.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.1 t -107.1 122.35 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.512 ' NH1' ' CE1' ' A' ' 22' ' ' PHE . 44.4 ttp180 -96.12 96.94 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 85.5 m95 -68.35 95.38 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.532 ' HB3' HD11 ' A' ' 73' ' ' ILE . 6.9 t60 -89.46 124.35 34.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.3 t -57.75 142.2 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -99.72 -36.53 9.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 9.2 t0 -63.12 -55.82 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.2 m -45.0 153.35 0.51 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 166.85 26.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -2.07 9.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -109.56 -32.4 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.6 tpt -107.14 28.93 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -57.4 137.47 56.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.0 mt -107.11 164.65 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.38 124.66 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -124.18 125.92 45.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -70.32 148.7 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.25 -29.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.9 t -70.71 -44.33 67.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' CYS . 67.6 m -95.02 17.42 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.587 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 64.9 p -69.03 -38.33 79.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -90.96 10.58 25.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.09 160.44 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.07 117.56 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.0 t60 -126.66 132.29 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.64 119.58 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 p -124.19 -176.13 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.4 -46.56 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.76 -53.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' LEU . 64.6 t60 -62.99 146.52 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 60.4 mmtt -143.38 178.23 7.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.01 -26.84 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.27 -25.81 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.9 m170 -53.78 158.17 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -106.54 163.18 13.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.1 148.2 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -116.9 114.48 39.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.5 Cg_endo -69.66 106.24 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 38' ' ' HIS . 63.6 mt -98.8 98.43 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.429 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -66.32 -39.06 89.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -128.39 156.8 42.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 t -76.23 134.38 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.3 p -84.34 174.64 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.81 -156.65 11.97 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 112.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -145.39 148.89 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -41.77 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.46 -179.956 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -128.22 137.59 52.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -89.25 131.03 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.16 -142.22 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -79.74 98.69 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -103.7 -31.43 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.14 21.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 9.0 pt20 -116.64 128.34 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.51 155.35 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 8' ' ' GLN . 23.6 mmt -104.11 87.63 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -167.6 146.91 4.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.42 95.06 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.33 152.82 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t -146.33 160.37 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.87 113.82 0.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -144.41 177.21 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.735 HG21 ' HD3' ' A' ' 75' ' ' ARG . 85.3 t -104.92 140.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.45 99.86 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -79.19 115.49 18.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -93.37 138.63 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 -32.77 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.9 126.06 35.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' C ' HD11 ' A' ' 32' ' ' ILE . 18.4 tttt -121.89 139.29 53.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.24 136.19 57.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -13.62 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 57' ' ' CYS . 17.0 t-20 -80.21 -60.75 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -100.71 -47.44 4.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.4 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.2 tt -75.62 122.68 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.5 tt0 -152.24 137.96 11.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.79 160.69 87.7 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 -1.817 . . . . 0.0 112.345 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' C ' ' A' ' 23' ' ' LYS . 73.3 mt -84.39 120.17 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.97 151.41 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.15 -118.7 5.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 74' ' ' TYR . 70.7 t -110.28 127.09 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -97.72 104.06 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.3 m95 -73.52 99.19 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.7 t60 -94.55 121.99 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.7 t -55.02 145.48 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.5 -40.84 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 46.6 t0 -62.1 -55.71 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -44.35 152.31 0.51 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.77 26.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -5.44 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -105.16 -32.69 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.504 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -108.3 27.04 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 78.9 p -57.58 134.09 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' CG ' ' A' ' 64' ' ' HIS . 15.9 mt -104.14 164.34 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.57 126.48 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -121.68 134.38 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.81 145.88 44.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.4 -35.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.55 -46.5 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 51' ' ' CYS . 64.6 m -94.47 23.4 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 61.4 p -70.76 -36.77 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -93.63 14.91 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.458 ' HB3' ' ND2' ' A' ' 26' ' ' ASN . 20.7 m -90.81 157.39 17.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.74 118.76 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.466 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.5 t60 -128.41 132.94 48.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.52 118.71 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.0 p -121.16 -174.89 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -45.5 -43.52 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.504 HD12 ' HG2' ' A' ' 46' ' ' MET . 32.6 mt -107.05 -52.61 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.506 ' CG ' HD12 ' A' ' 48' ' ' LEU . 49.6 t60 -59.68 148.7 32.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 38.3 mmtt -146.81 177.4 9.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.15 -38.21 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.8 -33.55 75.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.6 m170 -47.59 150.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -102.67 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.47 148.63 47.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.11 113.1 43.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.689 0.757 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.71 100.42 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 38' ' ' HIS . 54.4 mt -92.67 97.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.688 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.4 m-85 -64.88 -56.12 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.735 ' HD3' HG21 ' A' ' 17' ' ' VAL . 49.3 mmt-85 -110.74 158.09 19.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.1 p -69.73 144.21 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -107.89 147.17 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.0 -120.44 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 113.22 3.31 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -135.52 157.05 47.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.7 p -103.23 135.91 43.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.488 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 m -156.4 125.45 6.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -87.85 169.96 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.21 175.03 21.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -104.6 164.64 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -165.75 150.72 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.55 102.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -145.07 163.3 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.13 103.07 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.31 110.53 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -122.47 134.03 54.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.02 110.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.62 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -155.82 152.56 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.69 -80.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -133.91 161.76 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -98.95 139.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.98 99.98 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -79.04 113.87 17.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -93.03 139.56 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.16 -32.04 6.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.18 123.92 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.3 tttp -117.45 146.47 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.6 t -70.73 137.37 49.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.8 m-20 -88.71 -17.0 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -77.07 -67.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 p -94.67 -49.66 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.449 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.41 28.34 2.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 tt -77.64 123.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 19.2 tt0 -151.55 133.47 8.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.72 161.08 86.82 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.347 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 23' ' ' LYS . 96.5 mt -82.02 121.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -97.04 151.48 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.76 -124.22 6.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 74' ' ' TYR . 97.0 t -106.12 134.13 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -100.72 98.54 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.3 m95 -67.96 96.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.9 t-80 -91.1 124.29 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.35 141.04 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -99.48 -35.26 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.2 m-20 -64.07 -54.88 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.7 m -46.38 150.83 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.71 169.52 18.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -12.19 32.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -101.68 -23.4 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.914 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.6 tpt -116.59 24.52 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.8 m -57.52 130.71 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 25' ' ' ASP . 11.5 mt -103.64 164.05 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -141.03 127.14 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.21 132.38 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.45 144.81 46.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.14 -35.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.4 -46.33 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.0 m -93.34 22.69 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.1 p -70.72 -38.52 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.06 14.74 13.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.4 m -93.03 153.89 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.23 110.08 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -121.29 126.37 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.74 122.51 39.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.1 p -123.88 -175.6 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -40.84 -48.55 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.914 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -103.38 -53.68 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 24.5 t60 -58.61 148.45 28.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -147.51 -179.3 6.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.51 -32.78 48.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.76 -30.31 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -50.01 157.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -107.08 158.0 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.2 mt -121.29 148.03 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.02 114.08 43.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.455 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.3 Cg_endo -69.82 97.19 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.589 ' C ' HG13 ' A' ' 35' ' ' VAL . 73.5 mt -90.45 98.4 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.785 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -66.26 -53.09 40.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -110.78 152.58 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.7 t -75.82 124.08 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.4 p -60.38 110.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.11 104.99 0.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 t -84.2 -43.62 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -81.37 131.12 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.474 179.994 . . . . . . . . 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 -0.351 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 p -124.26 42.19 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m -106.1 138.47 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.31 -127.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -133.74 136.63 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m -132.99 135.42 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.1 126.2 1.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -133.43 139.69 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.708 0.29 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -69.41 146.61 51.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.8 mmm -114.56 95.1 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -130.85 112.58 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.64 165.09 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -57.27 134.75 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 p -73.3 98.09 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.52 -66.71 1.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -144.19 158.67 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.11 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -99.62 102.36 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -87.27 113.42 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -93.9 138.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.17 -35.82 4.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.641 ' CZ ' ' NH2' ' A' ' 36' ' ' ARG . 84.6 m-85 -85.12 128.94 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.384 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -125.99 125.66 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.0 t -56.88 126.03 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -4.89 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -88.33 -68.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.5 p -91.03 -40.61 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.66 8.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -73.89 117.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 20.6 tt0 -150.56 133.39 8.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.0 Cg_endo -69.79 162.79 83.47 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.361 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.88 129.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -107.42 135.94 48.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.94 -119.72 6.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 74' ' ' TYR . 86.7 t -108.76 130.76 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' NH2' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 ttp85 -101.15 104.74 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.461 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.3 m95 -74.16 97.48 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 73' ' ' ILE . 1.3 t-80 -91.31 122.92 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.1 t -58.52 144.58 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -98.99 -38.07 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.12 -56.44 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 m -46.33 149.93 1.24 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.66 33.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -99.03 -32.1 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 63' ' ' ILE . 8.2 tpt -109.13 25.39 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m -59.46 139.44 57.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 64' ' ' HIS . 52.9 mt -113.24 164.72 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.88 130.17 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.32 132.74 54.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.4 p -72.98 147.47 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -36.67 -34.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.23 -44.84 78.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 75.4 m -93.46 22.64 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 p -75.43 -28.25 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.13 10.34 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.06 153.23 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.06 113.23 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 16.0 t-80 -123.57 124.92 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -118.9 118.62 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.5 p -117.65 -178.79 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -40.08 -44.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -106.57 -54.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 34.4 t60 -59.67 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -142.79 -175.19 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.62 -45.87 16.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -55.82 -31.99 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 10.6 m170 -45.26 161.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -111.9 158.27 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -120.97 150.11 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.03 113.78 39.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.461 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.78 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 38' ' ' HIS . 67.4 mt -94.85 98.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.68 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 -67.15 -48.97 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -119.26 151.71 37.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.8 p -72.27 141.22 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.9 t -58.04 99.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 79' ' ' PRO . . . 173.1 95.98 0.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 78' ' ' GLY . 53.9 Cg_endo -69.78 85.6 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t -167.92 149.24 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.7 t -110.85 95.26 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.431 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -93.33 110.61 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -84.41 -58.76 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.38 -157.91 22.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -142.78 151.12 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -87.8 161.88 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.84 165.99 12.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -109.31 97.42 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -132.42 -43.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttm -71.72 134.55 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 18.1 pt20 -99.68 -44.03 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' GLN . . . -48.0 129.61 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.94 140.25 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 t -174.46 134.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.09 -92.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -121.42 169.62 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.93 144.69 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.73 99.56 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -81.85 113.42 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -96.16 132.35 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.38 -29.71 11.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 40.5 m-85 -93.68 143.68 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' C ' HD11 ' A' ' 32' ' ' ILE . 7.5 tttp -135.72 141.74 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 48.6 t -65.98 127.66 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.95 10.34 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 22.4 t-20 -104.92 -70.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.32 -44.21 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.25 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -78.23 118.82 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -151.4 133.35 8.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.68 159.04 90.1 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.401 -0.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 HD11 ' C ' ' A' ' 23' ' ' LYS . 70.8 mt -81.7 114.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.72 132.01 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.89 -129.01 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.7 t -100.75 128.6 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.6 ttp180 -99.82 101.62 12.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.1 m95 -72.49 93.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.1 t60 -87.53 120.53 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 147.01 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -101.93 -40.04 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.4 m-20 -60.61 -54.43 45.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -46.32 151.84 0.92 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 167.31 24.88 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.93 13.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.25 -32.99 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.673 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 tpt -107.96 31.04 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 74.4 p -59.46 140.31 56.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 64' ' ' HIS . 29.5 mt -109.08 165.02 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 127.13 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -125.14 132.38 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -73.11 145.29 46.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -36.09 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.4 t -66.78 -45.6 77.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 68.1 m -95.48 23.09 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 51.0 p -70.03 -37.77 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -92.13 14.8 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.16 155.44 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -116.29 116.02 27.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 18.7 t-80 -125.99 127.08 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -117.15 118.7 33.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -120.38 -177.08 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -40.27 -50.86 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.673 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.1 mt -102.89 -51.6 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -60.0 145.95 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -142.73 -175.31 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -82.12 -27.23 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.72 -24.21 60.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.5 m170 -57.4 158.15 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -107.22 165.46 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.98 142.99 51.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -111.17 115.45 52.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.8 Cg_endo -69.79 107.47 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.3 mt -100.58 99.31 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.0 m-85 -68.04 -41.13 82.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 78.6 mtp180 -124.79 160.53 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.7 p -85.46 134.42 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 76.3 p -67.01 82.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 79' ' ' PRO . . . -172.69 102.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 78' ' ' GLY . 53.8 Cg_endo -69.72 -7.09 20.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -56.81 -60.13 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 t -92.91 86.7 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.492 179.97 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -138.36 171.83 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -55.55 100.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.03 72.94 2.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -174.51 140.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -102.36 -52.55 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.89 71.78 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -84.74 142.16 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.62 141.41 58.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 161.04 9.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -87.96 152.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.65 137.89 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 63.08 42.69 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -156.95 112.85 2.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 16' ' ' PHE . . . 82.69 31.8 28.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 26.6 m-85 -145.84 178.61 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 74' ' ' TYR . 96.9 t -98.06 145.64 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -132.09 99.8 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.89 113.59 22.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -90.4 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.03 -35.95 3.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 18.5 m-85 -86.54 133.23 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.4 tttt -126.6 142.26 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 53.5 t -64.21 129.01 38.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.82 22.78 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -120.64 -62.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 29' ' ' ILE . 32.0 p -95.72 -40.83 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.0 31.91 3.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.4 tt -89.77 122.33 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.3 tt0 -152.21 136.98 10.62 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.76 163.46 81.77 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.365 -0.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD11 ' C ' ' A' ' 23' ' ' LYS . 72.3 mt -85.38 115.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.04 143.76 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.84 -118.76 6.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 74' ' ' TYR . 85.9 t -112.22 124.74 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.1 ttp180 -95.78 105.64 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.1 m95 -76.01 94.89 3.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.0 t60 -89.43 121.49 31.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.14 147.42 12.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -102.0 -40.81 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.1 -53.96 51.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.5 m -47.27 151.25 1.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.96 11.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -105.91 -38.59 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.604 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -104.58 32.94 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 81.9 p -61.65 137.59 58.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -106.22 164.85 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.26 121.07 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -117.89 133.05 56.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.8 p -70.83 151.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -37.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.33 -43.21 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.0 m -98.24 24.35 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.585 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 85.0 p -71.97 -37.7 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -91.27 15.58 11.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.3 m -90.77 155.3 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.7 tp -116.52 114.95 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 16.5 t-80 -125.4 131.27 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 65' ' ' LYS . 17.0 mt-10 -125.43 123.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -126.78 -174.23 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -41.15 -45.82 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.5 mt -105.32 -56.34 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 32.1 t60 -58.44 145.42 38.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' C ' ' HG2' ' A' ' 60' ' ' GLU . 23.2 mmtp -140.93 -176.37 4.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 58' ' ' LEU . 12.9 pt-20 -79.78 -36.16 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.83 -34.04 77.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.7 m170 -46.2 157.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -110.14 166.07 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.1 mt -125.64 145.17 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 26.7 tt0 -111.9 116.33 49.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.753 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.71 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 38' ' ' HIS . 74.0 mt -95.44 98.69 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.759 ' O ' HG21 ' A' ' 17' ' ' VAL . 3.2 m-85 -66.6 -50.16 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.504 ' HD3' HG22 ' A' ' 17' ' ' VAL . 16.1 mmt180 -118.4 170.39 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 77' ' ' SER . 12.4 t -102.53 111.65 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' SER . 25.8 p 36.84 47.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.21 -127.99 2.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.82 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -63.99 144.2 57.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 t -63.88 -44.21 93.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.497 -179.965 . . . . . . . . 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 -0.342 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -89.04 143.09 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -88.51 101.69 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.32 175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.3 p -94.84 157.34 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -125.82 156.55 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.45 6.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -113.24 -51.43 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 61.42 42.07 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.2 mtp -69.79 130.02 41.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.27 142.21 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.94 167.78 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.66 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -131.57 39.46 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.75 -57.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' HB3' ' N ' ' A' ' 34' ' ' GLY . 14.3 m-85 -143.81 156.56 44.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.96 125.73 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -87.57 100.03 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -87.07 113.5 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.45 139.33 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 -33.11 6.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -87.49 133.79 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 2.2 tmtt? -130.81 120.51 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.73 130.88 33.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.69 -11.17 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.97 -68.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.3 p -91.4 -46.85 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 116.15 20.5 5.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.6 tt -70.61 117.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 16.5 tt0 -152.08 131.17 6.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.9 Cg_endo -69.72 160.01 88.61 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.37 132.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -111.36 140.39 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 16' ' ' PHE . . . 97.23 -118.62 6.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' TYR . 79.0 t -114.13 127.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.191 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ttp-105 -98.59 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.4 m95 -77.83 93.94 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.0 t60 -86.89 123.12 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.4 t -55.57 145.63 22.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.85 -37.55 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.36 -54.72 32.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.3 m -46.73 151.74 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.96 22.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -9.12 25.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.11 -36.07 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.72 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -105.96 29.97 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -57.88 140.16 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.4 mt -110.12 164.99 12.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -142.7 131.91 23.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -130.55 126.08 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -67.51 148.18 51.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.6 -37.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -43.27 98.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' CYS . 83.3 m -96.03 20.02 10.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.1 p -70.42 -37.26 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.52 13.36 15.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.9 154.99 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -116.55 116.21 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 11.5 t-80 -125.87 131.28 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.7 119.37 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.2 p -120.65 -174.44 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -42.79 -48.93 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.72 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -101.49 -56.53 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 37.6 t60 -55.2 153.2 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -150.67 -178.49 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.53 -38.47 40.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.87 -34.15 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -45.36 164.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.25 165.87 12.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -127.48 147.12 50.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 7.7 tt0 -115.88 115.16 41.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.77 102.87 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 38' ' ' HIS . 64.3 mt -95.39 98.69 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.834 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.9 m-85 -65.5 -57.03 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -112.51 151.13 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -67.5 140.17 57.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.9 p -111.48 -44.76 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.35 -78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 97.94 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.2 m -91.39 -58.18 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 t -118.96 90.18 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.473 -179.996 . . . . . . . . 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 -0.32 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -80.51 44.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.11 125.73 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.23 42.14 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -45.35 158.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -126.37 176.0 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.93 88.22 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -118.75 95.4 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -127.26 102.78 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mpt? 60.21 43.55 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -73.59 -60.98 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 149.75 10.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -38.7 158.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m 62.68 44.18 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.18 -52.24 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -153.26 146.0 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 75' ' ' ARG . 58.8 t -83.43 139.26 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -121.5 99.64 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.34 114.08 17.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -94.66 144.09 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.94 -35.18 4.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -87.67 131.64 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.933 0.397 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 16.2 tttt -123.27 141.95 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.8 t -64.25 130.58 44.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.11 23.11 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 57' ' ' CYS . 19.4 t-20 -121.16 -62.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.8 p -96.92 -40.42 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.51 32.54 3.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.3 tt -89.25 121.52 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 21.3 tt0 -152.31 136.2 9.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.05 84.85 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.343 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.1 mt -82.63 120.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.62 137.62 42.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.65 -118.29 6.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 74' ' ' TYR . 90.0 t -110.65 124.64 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 ttp85 -95.13 103.31 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.2 m95 -74.36 97.39 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.7 t60 -91.97 119.19 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 70' ' ' LEU . 49.2 t -51.21 148.77 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -103.12 -41.13 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.5 -52.72 64.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -49.16 151.51 2.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -11.17 30.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -98.64 -38.06 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.803 ' HG2' HD12 ' A' ' 63' ' ' ILE . 9.1 tpt -103.91 33.7 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 90.2 p -62.62 135.71 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.57 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.4 mt -105.02 165.43 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.08 126.69 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -123.56 132.11 53.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -70.09 150.24 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -40.05 -32.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -68.41 -43.34 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' CYS . 74.4 m -96.98 24.29 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 58.0 p -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.43 16.42 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 26' ' ' ASN . 56.4 m -92.33 154.47 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.5 tp -114.72 114.73 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 41.4 t60 -125.33 130.26 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 66' ' ' GLU . 12.2 mt-10 -122.94 123.21 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.2 p -126.09 -177.01 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -39.05 -48.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.803 HD12 ' HG2' ' A' ' 46' ' ' MET . 26.7 mt -105.11 -53.64 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -58.95 146.38 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -142.5 179.39 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 pt-20 -75.5 -39.93 57.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -60.55 -35.39 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.0 m170 -43.68 160.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -111.18 164.96 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 39' ' ' CYS . 80.9 mt -125.88 143.48 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 21.5 tt0 -109.97 115.81 54.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 38' ' ' HIS . 73.0 mt -96.28 98.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -65.37 -50.12 66.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 22.2 mtm105 -110.97 152.7 26.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 m -62.98 130.06 43.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -125.32 80.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.29 -155.11 14.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.12 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t 59.59 41.0 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.9 m -143.47 151.88 40.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.492 179.974 . . . . . . . . 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 ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -87.17 113.5 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -93.26 139.26 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.32 -31.98 6.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.91 121.76 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 16.5 tttt -117.63 142.73 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.2 t -65.45 125.18 24.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 22.57 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.41 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -120.44 -60.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.6 p -97.97 -39.05 9.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.01 29.92 4.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.471 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.8 tt -88.14 121.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.5 tt0 -152.14 138.07 11.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.72 161.82 85.28 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.38 -0.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -82.62 119.27 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -97.66 151.65 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.38 -121.1 5.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 74' ' ' TYR . 84.1 t -104.79 133.13 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -104.76 99.99 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.534 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.3 m95 -69.1 100.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.1 t60 -95.34 121.91 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -54.86 145.23 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -100.66 -40.43 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 12.5 t0 -60.88 -53.9 51.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -48.19 152.14 1.59 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.09 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.96 36.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.393 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -95.12 -39.23 10.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.723 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -102.02 29.16 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.3 p -60.55 131.78 51.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' CG ' ' A' ' 64' ' ' HIS . 20.4 mt -102.36 164.74 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.18 125.12 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -119.44 141.01 49.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' CYS . 26.5 p -76.35 148.58 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -35.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.61 -43.07 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.2 m -97.92 24.25 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.6 p -74.87 -30.12 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -96.85 11.56 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.2 160.31 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.2 tp -120.21 116.69 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 64.3 t60 -124.05 133.0 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -125.13 118.65 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.406 ' CG2' ' CD2' ' A' ' 59' ' ' HIS . 7.0 p -123.11 -174.12 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -42.77 -47.65 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.7 mt -103.71 -56.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 50.3 t60 -56.55 146.07 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmtt -143.45 -179.94 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.7 pt-20 -76.29 -34.13 59.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.4 -33.87 76.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.1 m170 -47.54 158.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -112.79 162.39 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -123.24 143.62 49.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -110.35 116.96 52.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.465 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.6 Cg_endo -69.75 100.05 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 38' ' ' HIS . 79.8 mt -93.07 97.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.734 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.22 -63.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.1 113.5 20.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.49 148.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.27 -33.74 4.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -90.53 130.92 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.0 tttp -122.91 145.29 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -68.37 146.26 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.31 -20.13 17.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.503 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -75.98 -57.82 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.414 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.8 p -103.49 -46.82 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 114.78 20.62 5.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -69.63 122.56 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.1 tt0 -151.9 133.19 7.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.75 161.38 86.28 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.347 -0.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -81.76 117.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 31' ' ' PRO . 1.7 mp0 -96.39 133.23 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.16 -118.49 5.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.1 t -118.9 126.39 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -92.71 110.2 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.59 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.4 m95 -77.92 95.38 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.591 ' HB3' HD11 ' A' ' 73' ' ' ILE . 11.6 t60 -87.05 121.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.45 ' HA ' HD23 ' A' ' 70' ' ' LEU . 28.8 t -57.44 144.26 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.05 -37.53 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.2 m-20 -62.42 -52.01 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.6 m -49.55 151.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.18 19.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -7.11 20.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -104.96 -28.73 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD12 ' A' ' 63' ' ' ILE . 11.4 tpt -110.44 28.75 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.7 p -57.6 131.01 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 64' ' ' HIS . 11.4 mt -102.39 164.5 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.08 127.23 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -126.85 124.35 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -65.61 144.99 56.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.35 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.35 -46.92 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.503 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.2 m -90.62 21.13 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.59 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 90.3 p -72.98 -34.72 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.27 8.28 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.8 m -89.69 159.13 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.01 115.12 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 26.2 t60 -126.49 128.28 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.82 122.05 38.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 p -121.4 -175.45 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -42.24 -46.76 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.924 HD12 ' HG2' ' A' ' 46' ' ' MET . 20.8 mt -103.95 -54.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CG ' HD12 ' A' ' 48' ' ' LEU . 21.3 t60 -57.32 150.95 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -149.73 -179.32 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.68 -29.74 40.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -24.6 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.3 m170 -55.82 161.05 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.51 165.05 11.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' CYS . 84.9 mt -129.24 146.97 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 28.9 tt0 -114.3 115.93 44.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.1 Cg_endo -69.79 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.649 ' C ' HG13 ' A' ' 35' ' ' VAL . 53.0 mt -94.4 98.33 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.926 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.1 m-85 -66.72 -50.64 62.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -80.63 113.55 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.46 135.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.9 -27.63 19.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 21.4 tttt -121.65 143.21 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -69.93 141.94 53.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.03 -14.66 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.498 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.89 -55.14 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.629 ' SG ' HG22 ' A' ' 29' ' ' ILE . 28.0 p -104.42 -46.23 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.15 24.13 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.629 HG22 ' SG ' ' A' ' 27' ' ' CYS . 6.2 tt -76.3 125.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.2 tt0 -151.87 132.26 7.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.69 164.7 78.33 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.388 -0.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.7 124.25 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -99.32 144.04 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.8 -123.01 6.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.5 t -105.82 136.65 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -103.54 97.58 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 92.8 m95 -67.47 98.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -94.25 121.97 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 t -54.22 146.35 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -101.06 -40.75 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 5.2 t0 -63.62 -54.81 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -44.87 152.29 0.57 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.14 25.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -9.08 25.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -100.88 -38.51 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.721 ' HG2' HD12 ' A' ' 63' ' ' ILE . 2.9 tpt -102.97 25.81 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -58.04 129.73 43.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 HD12 ' CG ' ' A' ' 64' ' ' HIS . 8.6 mt -98.56 162.95 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -140.7 129.08 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -125.42 131.69 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.4 p -71.14 145.62 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -37.03 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 t -70.97 -45.36 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.498 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 82.9 m -94.21 22.95 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.525 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 47.1 p -72.26 -38.62 68.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.09 11.39 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.0 154.52 18.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.15 116.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 15.6 t60 -124.71 130.1 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -122.64 118.69 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 p -121.19 -176.46 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -43.06 -45.32 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -104.92 -51.02 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 22.5 t60 -60.35 149.71 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -149.04 179.13 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.99 -38.41 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.73 -29.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB3' ' A' ' 41' ' ' ASP . 14.7 m170 -53.07 152.88 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -104.35 165.24 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -125.48 148.67 48.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -114.63 114.11 44.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.74 101.51 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 72.1 mt -94.78 98.09 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.7 m-85 -67.57 -46.08 73.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.95 113.56 25.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.8 t -94.15 132.87 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.3 -32.26 7.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 36' ' ' ARG . 60.6 m-85 -91.45 124.34 35.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HE3' ' CA ' ' A' ' 28' ' ' GLY . 8.7 tttp -117.25 145.98 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.0 t -69.89 140.81 53.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.1 -17.28 22.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -76.79 -59.03 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.9 p -102.38 -48.85 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 116.5 26.54 3.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.22 126.45 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.6 tt0 -151.77 134.21 8.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.79 166.94 72.83 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.332 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' C ' ' A' ' 23' ' ' LYS . 82.5 mt -86.0 114.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.34 145.81 24.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.85 -124.52 7.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 74' ' ' TYR . 78.0 t -105.5 134.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 22' ' ' PHE . 36.8 ttp85 -101.25 97.36 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.2 m95 -67.33 96.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB3' HD11 ' A' ' 73' ' ' ILE . 4.9 t60 -91.56 123.9 35.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 30.9 t -56.43 143.38 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -101.48 -33.9 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 45.5 t0 -66.67 -55.93 12.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.4 m -44.52 151.44 0.59 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.12 22.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.96 -26.72 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.767 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -114.33 27.1 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 m -57.23 136.97 56.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 64' ' ' HIS . 22.6 mt -110.26 164.96 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -143.52 128.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -122.59 134.34 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -72.36 145.13 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.79 -33.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.2 t -66.25 -45.92 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 78.6 m -94.03 22.73 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.568 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.5 p -71.15 -39.62 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.09 14.74 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.9 m -92.84 154.91 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -115.93 111.28 20.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 20.9 t60 -119.91 131.1 55.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -124.84 118.52 26.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.4 p -122.77 -174.64 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -41.83 -49.13 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.767 HD12 ' HG2' ' A' ' 46' ' ' MET . 43.1 mt -102.52 -56.3 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 61.5 t60 -58.56 149.01 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -147.18 -177.64 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 58' ' ' LEU . 7.3 pt-20 -76.77 -40.57 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.14 -35.46 73.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 14.8 m170 -46.48 153.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.86 164.58 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.12 143.75 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -112.08 114.9 50.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.78 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 38' ' ' HIS . 66.3 mt -94.69 98.38 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.772 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.41 -47.69 72.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -85.66 113.59 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.6 t -94.25 139.67 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -24.85 29.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -101.45 127.65 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 7.5 tttp -118.99 144.08 46.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.448 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.5 t -67.31 136.84 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -89.98 -14.81 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -79.99 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -96.1 -48.01 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.92 19.25 4.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.425 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.9 tt -70.76 123.46 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 24.0 tt0 -152.0 134.52 8.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.72 163.23 82.26 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.385 -0.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -83.44 121.11 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.12 149.97 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.54 -119.56 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ILE . 54.0 t -106.05 136.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.086 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -105.08 94.3 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.7 m95 -65.78 95.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.0 t60 -92.46 121.99 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.49 146.97 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.86 -34.95 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.487 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 42.5 t0 -66.43 -52.69 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -46.96 152.89 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.85 27.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.33 -34.8 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.862 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -105.01 29.7 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -58.04 133.89 55.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.1 mt -105.2 165.06 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.38 130.85 18.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.78 134.96 49.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.6 p -72.95 143.88 47.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -34.02 -34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -65.2 -48.21 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 86.2 m -90.41 22.61 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.54 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.0 p -72.65 -27.42 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -100.93 10.41 41.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.2 m -90.19 155.51 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.33 119.63 36.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -128.35 133.53 48.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.06 118.55 26.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.5 p -121.44 -175.11 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -44.03 -45.8 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.862 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.4 mt -105.28 -54.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.583 ' CG ' HD12 ' A' ' 48' ' ' LEU . 68.4 t60 -60.33 143.49 52.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -139.74 -176.23 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.62 -26.32 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.17 -22.73 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.487 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 15.0 m170 -57.63 153.75 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -104.45 160.88 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.22 148.54 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.31 115.21 42.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.664 0.745 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.79 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 38' ' ' HIS . 72.8 mt -95.32 98.31 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.8 m-85 -64.99 -50.7 65.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.87 113.51 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -90.31 135.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.44 -32.47 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' NE ' ' A' ' 36' ' ' ARG . 37.0 m-85 -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.5 tttp -117.2 147.6 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.9 t -70.19 131.62 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.67 27.04 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -128.79 -62.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.63 -34.95 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.85 30.82 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.6 tt -86.14 123.83 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.4 tt0 -151.89 133.71 8.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.8 165.35 76.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.348 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.431 HD11 ' C ' ' A' ' 23' ' ' LYS . 88.4 mt -83.78 121.66 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mp0 -99.73 141.82 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.86 -122.58 7.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.781 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.0 t -108.5 128.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' NE ' ' CG ' ' A' ' 22' ' ' PHE . 28.3 ttp85 -96.75 108.26 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 72' ' ' PRO . 90.9 m95 -77.97 91.93 4.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.551 ' HB3' HD11 ' A' ' 73' ' ' ILE . 6.8 t60 -85.72 118.47 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.5 t -52.2 148.15 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -102.93 -40.47 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -62.29 -56.2 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 150.63 0.41 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 53.8 Cg_endo -69.82 169.29 19.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.61 29.0 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.14 -28.97 11.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.898 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.0 tpt -111.93 23.16 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 m -57.38 128.64 38.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 64' ' ' HIS . 13.9 mt -101.15 165.06 11.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.92 128.33 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -120.71 145.74 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' CYS . 24.5 p -76.98 149.82 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -37.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 t -64.53 -41.56 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 76.6 m -98.06 23.31 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 53.9 p -73.92 -35.41 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.46 14.66 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -92.47 154.76 18.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -115.53 110.53 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.532 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.0 t60 -125.28 123.8 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -118.77 120.81 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -119.6 -174.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -39.66 -49.75 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.898 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -102.5 -56.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 14.9 t60 -53.46 153.0 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -153.33 178.94 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.11 -38.18 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -61.7 -34.73 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.52 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.7 m170 -46.89 156.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -107.18 165.39 11.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.2 mt -126.7 143.86 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.95 113.06 57.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.68 99.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 38' ' ' HIS . 58.8 mt -93.49 98.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.781 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.2 m-85 -67.7 -48.87 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -84.79 113.47 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.97 132.04 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.64 -33.61 6.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -87.98 141.87 28.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 7.5 tttp -134.2 142.95 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.2 t -68.68 130.39 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.84 18.71 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.2 t30 -117.46 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.6 p -91.09 -29.62 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.9 30.47 8.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -85.41 122.24 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.9 tt0 -152.17 134.08 8.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.4 Cg_endo -69.81 163.44 81.94 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.373 0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -82.2 125.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -103.28 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.6 -125.02 6.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 74' ' ' TYR . 69.8 t -108.02 123.04 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -90.6 111.29 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.6 m95 -81.13 96.41 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.589 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -89.69 119.23 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.472 ' HA ' HD23 ' A' ' 70' ' ' LEU . 38.3 t -52.56 148.76 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -105.62 -39.96 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.74 -49.68 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.28 152.82 5.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.38 24.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.93 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.45 -28.87 7.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 tpt -110.28 30.38 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 91.0 p -60.46 141.94 55.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -112.03 164.92 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -139.81 131.18 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -132.16 128.35 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.8 p -68.85 146.9 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.1 -33.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 5.1 t -67.98 -47.0 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 61.4 m -94.78 23.97 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.4 p -73.29 -37.08 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.09 15.7 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.86 162.97 18.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 66' ' ' GLU . 9.3 tp -120.42 109.39 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.587 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 35.5 t60 -122.05 127.08 49.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -124.14 120.37 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -123.81 -175.62 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -42.12 -42.22 2.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.6 mt -109.25 -51.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CG ' HD12 ' A' ' 48' ' ' LEU . 23.8 t60 -61.17 151.24 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 42.6 mmtt -150.84 177.26 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.627 ' HB2' HD11 ' A' ' 58' ' ' LEU . 9.9 pt-20 -72.28 -42.17 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.96 -32.81 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 10.3 m170 -47.81 151.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -101.87 166.34 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 39' ' ' CYS . 87.0 mt -129.68 141.64 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -108.09 114.23 59.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.3 Cg_endo -69.73 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 38' ' ' HIS . 56.7 mt -94.9 99.16 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.88 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -67.44 -55.3 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.33 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -87.22 113.4 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.16 133.06 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.48 -31.87 8.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -91.87 120.37 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.9 tttt -115.28 139.18 50.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.97 127.5 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -89.6 23.62 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.3 t30 -122.3 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.12 -39.08 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 30.63 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.9 tt -89.55 120.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.7 tt0 -152.37 138.8 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.47 83.97 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.87 113.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -98.6 115.41 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.79 -122.98 4.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG22 ' HA ' ' A' ' 74' ' ' TYR . 58.5 t -107.8 124.76 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -93.2 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.9 m95 -81.75 96.68 7.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.569 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.1 t60 -88.6 122.96 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -60.45 145.24 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -97.42 -38.26 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -62.74 -51.33 67.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -51.31 150.04 6.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HB2' ' CD ' ' A' ' 45' ' ' GLU . 53.9 Cg_endo -69.71 168.03 22.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 43' ' ' PRO . 10.0 pm0 -104.69 -32.28 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.816 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.2 tpt -108.55 31.71 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -58.43 149.41 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 34.2 mt -120.08 164.64 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 2.3 p-10 -142.05 126.47 17.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -122.67 131.26 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' CYS . 25.4 p -69.93 144.79 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -35.56 -37.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.17 -45.72 87.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 73.1 m -93.72 20.52 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 27.7 p -69.49 -39.14 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -92.3 13.3 19.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.26 164.27 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -120.55 111.52 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -123.48 128.15 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -119.5 126.8 52.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -126.69 -178.62 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -41.25 -47.02 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.816 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.8 mt -105.58 -50.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 48.5 t60 -61.19 151.08 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 33.2 mmtt -146.61 -175.59 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.6 pt-20 -78.87 -45.26 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -36.13 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 11.1 m170 -41.76 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -107.34 164.17 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.0 mt -128.24 146.95 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -116.09 114.51 41.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.4 Cg_endo -69.73 101.69 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.632 2.222 . . . . 0.0 112.397 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.0 mt -95.18 101.9 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.808 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -69.7 -51.85 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 1.5 mpt_? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -79.26 113.38 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.5 145.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.4 -35.4 4.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -86.46 154.76 20.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.662 ' C ' HD11 ' A' ' 32' ' ' ILE . 9.7 tttp -147.95 141.99 25.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.621 ' N ' HD11 ' A' ' 32' ' ' ILE . 48.9 t -67.12 126.38 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.17 -8.2 59.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.47 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -85.39 -69.54 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -90.96 -47.15 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.74 29.86 2.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.457 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.4 tt -82.31 120.64 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -150.49 136.51 10.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.743 . . . . 0.0 110.853 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.81 158.09 91.52 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.369 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' C ' ' A' ' 23' ' ' LYS . 81.6 mt -83.99 119.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -105.18 141.18 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.64 -120.31 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.6 t -112.37 117.78 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -87.91 101.91 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.8 m95 -74.44 96.59 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -92.27 120.25 32.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' HD23 ' A' ' 70' ' ' LEU . 35.5 t -50.36 149.82 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -107.5 -38.56 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.3 m-20 -62.84 -50.94 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.0 m -49.94 150.9 3.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.6 18.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.6 4.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -111.84 -34.47 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -103.35 24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.9 p -57.26 132.55 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD12 ' CD2' ' A' ' 64' ' ' HIS . 29.8 mt -111.96 163.97 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.5 129.71 31.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.97 132.61 54.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.2 p -73.86 145.65 44.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.63 -35.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -64.67 -45.97 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 69.8 m -94.81 22.58 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.3 p -69.42 -37.88 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.65 15.48 19.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.63 164.63 15.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.2 tp -120.63 109.41 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -125.43 118.65 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -113.8 125.16 53.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.8 p -122.25 -174.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.3 -49.97 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 46' ' ' MET . 42.5 mt -104.67 -54.24 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 13.6 t60 -52.04 154.03 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 31.4 mmtt -153.08 176.96 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.7 pt-20 -73.75 -43.94 57.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.3 -34.99 67.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 12.9 m170 -46.46 161.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.88 166.87 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 39' ' ' CYS . 85.3 mt -129.55 142.22 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.4 tt0 -109.14 114.11 58.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.537 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.78 101.88 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.519 HD11 ' HB3' ' A' ' 38' ' ' HIS . 65.6 mt -93.91 98.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.622 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.7 m-85 -65.68 -48.15 73.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -82.1 113.48 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -95.76 137.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.22 -35.11 5.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.34 128.89 35.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -122.04 129.46 52.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -57.44 124.86 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.17 13.16 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -110.43 -69.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.579 ' SG ' HG22 ' A' ' 29' ' ' ILE . 30.3 p -90.66 -26.25 19.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 21.95 31.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -76.95 116.25 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.1 tt0 -148.76 135.72 10.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.7 163.22 82.23 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.42 127.91 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -105.19 150.38 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.5 -120.58 5.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.8 t -106.68 130.19 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 49.1 ttp85 -100.56 99.8 10.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 87.8 m95 -68.62 97.81 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.3 t60 -92.96 123.75 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -55.14 143.47 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -101.1 -36.61 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 31.3 t0 -64.04 -55.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 m -43.44 153.86 0.36 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.31 28.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.34 8.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -110.2 -33.39 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG2' HD12 ' A' ' 63' ' ' ILE . 5.9 tpt -106.85 29.87 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 p -57.94 139.05 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' CG ' ' A' ' 64' ' ' HIS . 21.5 mt -110.5 164.87 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' HB3' ' CG ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -143.96 127.43 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.0 138.23 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' CYS . 19.6 p -73.53 148.25 43.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.82 -34.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 t -66.58 -41.21 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 77.3 m -98.18 22.8 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 69.0 p -69.9 -40.23 75.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.07 15.32 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.2 m -91.15 155.94 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -117.41 113.17 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.4 t60 -123.35 131.81 53.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.27 118.59 26.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.9 p -121.48 -174.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -50.79 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -101.07 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.561 ' CG ' HD12 ' A' ' 48' ' ' LEU . 59.7 t60 -58.2 147.38 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 22.7 mmtp -143.8 -176.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -77.59 -41.79 37.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -34.9 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.7 m170 -46.21 153.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -106.34 164.6 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -125.03 147.99 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.49 115.38 42.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.2 Cg_endo -69.76 99.84 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 38' ' ' HIS . 46.6 mt -92.89 99.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.713 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -67.31 -45.12 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -77.65 115.09 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.18 136.2 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.89 -35.55 4.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' NH2' ' A' ' 36' ' ' ARG . 93.0 m-85 -85.82 133.74 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 1.7 tmtt? -129.17 128.28 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 37.5 t -59.34 124.25 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.74 3.05 30.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.06 -69.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.8 p -91.56 -34.44 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 102.62 20.14 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -74.73 115.86 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -149.01 134.36 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.71 161.8 85.3 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.325 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.4 mt -82.73 127.04 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -103.59 149.11 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.05 -119.67 5.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.726 HG22 ' HA ' ' A' ' 74' ' ' TYR . 68.9 t -107.7 132.57 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' NH2' ' CE2' ' A' ' 22' ' ' PHE . 46.6 ttp85 -103.71 108.58 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.0 m95 -77.16 94.44 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.512 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -89.97 124.01 34.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.5 t -56.81 144.62 32.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -104.38 -36.01 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 11.2 t0 -65.19 -44.96 86.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -54.6 152.67 12.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.56 18.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.4 5.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -32.53 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -105.27 28.4 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.0 p -57.4 116.13 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 64' ' ' HIS . 12.1 mt -94.74 164.88 12.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.36 133.64 23.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.79 129.57 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.6 p -67.99 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.51 -37.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.55 96.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 73.1 m -96.58 22.24 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.492 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 54.9 p -71.77 -38.25 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -91.28 14.61 13.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 m -93.05 154.18 18.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.4 122.8 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 9.7 t60 -132.57 132.15 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -124.09 119.05 28.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 p -121.9 -175.25 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.21 -50.05 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' SD ' ' A' ' 46' ' ' MET . 18.2 mt -100.38 -53.96 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 48' ' ' LEU . 42.5 t60 -58.48 154.75 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 37.7 mmtt -150.15 -179.63 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -78.51 -42.04 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -31.69 69.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 13.5 m170 -48.65 155.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -108.05 166.05 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.6 mt -126.11 148.42 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -114.62 115.57 44.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.75 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 38' ' ' HIS . 71.8 mt -93.78 98.13 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.726 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.38 -51.58 55.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -85.19 113.71 21.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.76 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.33 -33.9 3.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -87.09 123.56 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 23.6 tttt -120.34 142.63 48.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.0 t -68.62 125.87 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 -5.24 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -88.47 -68.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -91.38 -43.64 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.48 26.52 4.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.6 tt -82.53 122.4 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 25.2 tt0 -152.14 136.25 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.1 Cg_endo -69.79 161.79 85.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -81.71 119.47 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.07 143.83 28.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -117.09 5.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.0 t -109.16 133.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -104.2 94.62 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 89.0 m95 -66.79 96.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.71 122.13 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -53.32 148.88 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.67 -40.4 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.71 -52.79 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.7 m -48.75 151.63 2.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.35 19.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.32 32.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -97.17 -38.92 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpt -103.74 32.17 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 p -61.91 134.83 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 47.0 mt -104.77 165.3 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -142.09 124.78 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -120.04 134.79 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.57 150.88 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.77 -33.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -66.91 -47.32 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 60.0 m -94.51 23.35 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 52.2 p -72.13 -38.79 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.9 15.75 14.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.97 164.22 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.56 108.98 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.604 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.4 t60 -120.75 129.85 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -125.2 124.19 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -126.83 -174.57 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -39.3 -50.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.64 -55.21 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 46.9 t60 -55.67 149.37 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -148.92 -179.63 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.38 -46.05 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.36 -38.06 62.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.1 m170 -43.19 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -111.82 165.88 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 39' ' ' CYS . 66.5 mt -127.9 142.61 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.06 117.17 50.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.644 0.735 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.75 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 91.5 mt -97.85 98.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.802 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -78.37 113.43 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.7 145.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.34 -35.4 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' ' NH1' ' A' ' 36' ' ' ARG . 24.0 m-85 -86.14 148.5 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -141.2 127.36 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.25 126.55 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.72 2.43 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.499 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.83 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -89.18 -38.35 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.41 16.85 12.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.645 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.6 tt -70.32 115.67 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.3 tt0 -148.77 133.7 9.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.73 163.52 81.51 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.37 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -87.03 124.47 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.26 135.22 50.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.42 -121.94 7.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.1 t -107.1 122.35 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.512 ' NH1' ' CE1' ' A' ' 22' ' ' PHE . 44.4 ttp180 -96.12 96.94 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 85.5 m95 -68.35 95.38 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.532 ' HB3' HD11 ' A' ' 73' ' ' ILE . 6.9 t60 -89.46 124.35 34.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.3 t -57.75 142.2 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -99.72 -36.53 9.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 9.2 t0 -63.12 -55.82 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.2 m -45.0 153.35 0.51 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 166.85 26.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -2.07 9.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -109.56 -32.4 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.6 tpt -107.14 28.93 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -57.4 137.47 56.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.0 mt -107.11 164.65 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.38 124.66 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -124.18 125.92 45.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -70.32 148.7 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.25 -29.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.9 t -70.71 -44.33 67.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.499 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 67.6 m -95.02 17.42 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.587 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 64.9 p -69.03 -38.33 79.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -90.96 10.58 25.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.09 160.44 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.07 117.56 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.0 t60 -126.66 132.29 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.64 119.58 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 p -124.19 -176.13 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.4 -46.56 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.76 -53.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' LEU . 64.6 t60 -62.99 146.52 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 60.4 mmtt -143.38 178.23 7.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.01 -26.84 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.27 -25.81 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.9 m170 -53.78 158.17 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -106.54 163.18 13.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.1 148.2 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -116.9 114.48 39.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.5 Cg_endo -69.66 106.24 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 38' ' ' HIS . 63.6 mt -98.8 98.43 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.429 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -66.32 -39.06 89.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -79.19 115.49 18.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -93.37 138.63 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 -32.77 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.9 126.06 35.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' C ' HD11 ' A' ' 32' ' ' ILE . 18.4 tttt -121.89 139.29 53.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.24 136.19 57.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -13.62 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.506 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.21 -60.75 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -100.71 -47.44 4.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.4 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.2 tt -75.62 122.68 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.5 tt0 -152.24 137.96 11.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.79 160.69 87.7 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 -1.817 . . . . 0.0 112.345 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' C ' ' A' ' 23' ' ' LYS . 73.3 mt -84.39 120.17 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.97 151.41 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.15 -118.7 5.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 74' ' ' TYR . 70.7 t -110.28 127.09 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -97.72 104.06 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.3 m95 -73.52 99.19 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.7 t60 -94.55 121.99 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.7 t -55.02 145.48 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.5 -40.84 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 46.6 t0 -62.1 -55.71 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -44.35 152.31 0.51 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.77 26.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -5.44 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -105.16 -32.69 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.504 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -108.3 27.04 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 78.9 p -57.58 134.09 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' CG ' ' A' ' 64' ' ' HIS . 15.9 mt -104.14 164.34 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.57 126.48 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -121.68 134.38 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.81 145.88 44.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.4 -35.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.55 -46.5 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 64.6 m -94.47 23.4 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 61.4 p -70.76 -36.77 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -93.63 14.91 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.81 157.39 17.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.74 118.76 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.466 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.5 t60 -128.41 132.94 48.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.52 118.71 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.0 p -121.16 -174.89 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -45.5 -43.52 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.504 HD12 ' HG2' ' A' ' 46' ' ' MET . 32.6 mt -107.05 -52.61 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.506 ' CG ' HD12 ' A' ' 48' ' ' LEU . 49.6 t60 -59.68 148.7 32.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 38.3 mmtt -146.81 177.4 9.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.15 -38.21 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.8 -33.55 75.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.6 m170 -47.59 150.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -102.67 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.47 148.63 47.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.11 113.1 43.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.689 0.757 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.71 100.42 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 38' ' ' HIS . 54.4 mt -92.67 97.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.688 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.4 m-85 -64.88 -56.12 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.3 mmt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -79.04 113.87 17.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -93.03 139.56 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.16 -32.04 6.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.18 123.92 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.3 tttp -117.45 146.47 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.6 t -70.73 137.37 49.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.8 m-20 -88.71 -17.0 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.496 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.7 t30 -77.07 -67.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 p -94.67 -49.66 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.449 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.41 28.34 2.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 tt -77.64 123.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 19.2 tt0 -151.55 133.47 8.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.72 161.08 86.82 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.347 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 23' ' ' LYS . 96.5 mt -82.02 121.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -97.04 151.48 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.76 -124.22 6.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 74' ' ' TYR . 97.0 t -106.12 134.13 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -100.72 98.54 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.3 m95 -67.96 96.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.2 t60 -91.1 124.29 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.35 141.04 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -99.48 -35.26 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.2 m-20 -64.07 -54.88 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.7 m -46.38 150.83 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.71 169.52 18.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -12.19 32.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -101.68 -23.4 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.914 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.6 tpt -116.59 24.52 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.8 m -57.52 130.71 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 25' ' ' ASP . 11.5 mt -103.64 164.05 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -141.03 127.14 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.21 132.38 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.45 144.81 46.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.14 -35.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.4 -46.33 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.496 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 85.0 m -93.34 22.69 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.1 p -70.72 -38.52 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.06 14.74 13.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.4 m -93.03 153.89 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.23 110.08 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -121.29 126.37 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.74 122.51 39.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.1 p -123.88 -175.6 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -40.84 -48.55 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.914 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -103.38 -53.68 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 24.5 t60 -58.61 148.45 28.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -147.51 -179.3 6.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.51 -32.78 48.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.76 -30.31 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -50.01 157.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -107.08 158.0 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.2 mt -121.29 148.03 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.02 114.08 43.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.455 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.3 Cg_endo -69.82 97.19 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.589 ' C ' HG13 ' A' ' 35' ' ' VAL . 73.5 mt -90.45 98.4 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.785 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -66.26 -53.09 40.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -87.27 113.42 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -93.9 138.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.17 -35.82 4.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.641 ' CZ ' ' NH2' ' A' ' 36' ' ' ARG . 84.6 m-85 -85.12 128.94 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.384 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -125.99 125.66 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.0 t -56.88 126.03 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -4.89 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -88.33 -68.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.5 p -91.03 -40.61 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.66 8.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -73.89 117.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 20.6 tt0 -150.56 133.39 8.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.0 Cg_endo -69.79 162.79 83.47 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.361 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.88 129.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -107.42 135.94 48.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.94 -119.72 6.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 74' ' ' TYR . 86.7 t -108.76 130.76 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.641 ' NH2' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 ttp85 -101.15 104.74 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.461 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.3 m95 -74.16 97.48 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -91.31 122.92 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 38.1 t -58.52 144.58 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -98.99 -38.07 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.12 -56.44 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 m -46.33 149.93 1.24 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.66 33.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -99.03 -32.1 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 63' ' ' ILE . 8.2 tpt -109.13 25.39 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m -59.46 139.44 57.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 64' ' ' HIS . 52.9 mt -113.24 164.72 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.88 130.17 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.32 132.74 54.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.4 p -72.98 147.47 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -36.67 -34.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.23 -44.84 78.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 75.4 m -93.46 22.64 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 p -75.43 -28.25 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.13 10.34 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.06 153.23 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.06 113.23 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 17.3 t60 -123.57 124.92 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -118.9 118.62 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.5 p -117.65 -178.79 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -40.08 -44.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -106.57 -54.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 34.4 t60 -59.67 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -142.79 -175.19 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.62 -45.87 16.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -55.82 -31.99 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 10.6 m170 -45.26 161.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -111.9 158.27 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -120.97 150.11 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.03 113.78 39.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.461 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.78 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 38' ' ' HIS . 67.4 mt -94.85 98.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.68 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 -67.15 -48.97 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.813 0.339 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -81.85 113.42 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -96.16 132.35 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.38 -29.71 11.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 40.5 m-85 -93.68 143.68 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' C ' HD11 ' A' ' 32' ' ' ILE . 7.5 tttp -135.72 141.74 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 48.6 t -65.98 127.66 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.95 10.34 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.9 t30 -104.92 -70.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.32 -44.21 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.25 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -78.23 118.82 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -151.4 133.35 8.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.68 159.04 90.1 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.401 -0.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.476 HD11 ' C ' ' A' ' 23' ' ' LYS . 70.8 mt -81.7 114.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.72 132.01 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.89 -129.01 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.7 t -100.75 128.6 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.6 ttp180 -99.82 101.62 12.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.1 m95 -72.49 93.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.1 t60 -87.53 120.53 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 147.01 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -101.93 -40.04 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.4 m-20 -60.61 -54.43 45.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -46.32 151.84 0.92 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 167.31 24.88 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.93 13.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.25 -32.99 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.673 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 tpt -107.96 31.04 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 74.4 p -59.46 140.31 56.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 64' ' ' HIS . 29.5 mt -109.08 165.02 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 127.13 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -125.14 132.38 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -73.11 145.29 46.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -36.09 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.4 t -66.78 -45.6 77.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 68.1 m -95.48 23.09 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 51.0 p -70.03 -37.77 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -92.13 14.8 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.16 155.44 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -116.29 116.02 27.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.0 t60 -125.99 127.08 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -117.15 118.7 33.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -120.38 -177.08 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -40.27 -50.86 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.673 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.1 mt -102.89 -51.6 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -60.0 145.95 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -142.73 -175.31 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -82.12 -27.23 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.72 -24.21 60.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.5 m170 -57.4 158.15 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -107.22 165.46 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.98 142.99 51.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -111.17 115.45 52.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.8 Cg_endo -69.79 107.47 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.3 mt -100.58 99.31 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.0 m-85 -68.04 -41.13 82.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 78.6 mtp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.89 113.59 22.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -90.4 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.03 -35.95 3.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 18.5 m-85 -86.54 133.23 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.4 tttt -126.6 142.26 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 53.5 t -64.21 129.01 38.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.82 22.78 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.64 -62.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 29' ' ' ILE . 32.0 p -95.72 -40.83 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.0 31.91 3.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.4 tt -89.77 122.33 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.3 tt0 -152.21 136.98 10.62 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.76 163.46 81.77 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.365 -0.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD11 ' C ' ' A' ' 23' ' ' LYS . 72.3 mt -85.38 115.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.04 143.76 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.84 -118.76 6.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 74' ' ' TYR . 85.9 t -112.22 124.74 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.1 ttp180 -95.78 105.64 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.1 m95 -76.01 94.89 3.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.0 t60 -89.43 121.49 31.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.14 147.42 12.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -102.0 -40.81 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.1 -53.96 51.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.5 m -47.27 151.25 1.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.96 11.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -105.91 -38.59 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.604 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -104.58 32.94 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 81.9 p -61.65 137.59 58.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -106.22 164.85 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.26 121.07 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -117.89 133.05 56.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.8 p -70.83 151.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -37.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.33 -43.21 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.0 m -98.24 24.35 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.585 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 85.0 p -71.97 -37.7 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -91.27 15.58 11.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.3 m -90.77 155.3 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.7 tp -116.52 114.95 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.2 t60 -125.4 131.27 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 65' ' ' LYS . 17.0 mt-10 -125.43 123.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -126.78 -174.23 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -41.15 -45.82 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.5 mt -105.32 -56.34 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 32.1 t60 -58.44 145.42 38.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' C ' ' HG2' ' A' ' 60' ' ' GLU . 23.2 mmtp -140.93 -176.37 4.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 58' ' ' LEU . 12.9 pt-20 -79.78 -36.16 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.83 -34.04 77.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.7 m170 -46.2 157.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -110.14 166.07 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.1 mt -125.64 145.17 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 26.7 tt0 -111.9 116.33 49.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.753 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.71 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 38' ' ' HIS . 74.0 mt -95.44 98.69 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.604 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.2 m-85 -66.6 -50.16 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 16.1 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.824 0.345 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -87.07 113.5 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.45 139.33 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 -33.11 6.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -87.49 133.79 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 2.2 tmtt? -130.81 120.51 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.73 130.88 33.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.69 -11.17 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.462 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -81.97 -68.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.3 p -91.4 -46.85 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 116.15 20.5 5.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -70.61 117.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 16.5 tt0 -152.08 131.17 6.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.9 Cg_endo -69.72 160.01 88.61 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.37 132.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -111.36 140.39 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.23 -118.62 6.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' TYR . 79.0 t -114.13 127.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.191 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ttp-105 -98.59 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.4 m95 -77.83 93.94 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.504 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.0 t60 -86.89 123.12 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.4 t -55.57 145.63 22.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.85 -37.55 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.36 -54.72 32.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.3 m -46.73 151.74 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.96 22.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -9.12 25.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.11 -36.07 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.72 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -105.96 29.97 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -57.88 140.16 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.4 mt -110.12 164.99 12.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -142.7 131.91 23.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -130.55 126.08 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -67.51 148.18 51.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.6 -37.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -43.27 98.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' CYS . 83.3 m -96.03 20.02 10.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.1 p -70.42 -37.26 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.52 13.36 15.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.9 154.99 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -116.55 116.21 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 19.7 t60 -125.87 131.28 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.7 119.37 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.2 p -120.65 -174.44 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -42.79 -48.93 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.72 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -101.49 -56.53 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 37.6 t60 -55.2 153.2 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -150.67 -178.49 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.53 -38.47 40.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.87 -34.15 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -45.36 164.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.25 165.87 12.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -127.48 147.12 50.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 7.7 tt0 -115.88 115.16 41.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.77 102.87 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 38' ' ' HIS . 64.3 mt -95.39 98.69 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.834 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.9 m-85 -65.5 -57.03 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.34 114.08 17.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -94.66 144.09 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.94 -35.18 4.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -87.67 131.64 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.933 0.397 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 16.2 tttt -123.27 141.95 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.8 t -64.25 130.58 44.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.11 23.11 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -121.16 -62.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.8 p -96.92 -40.42 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.51 32.54 3.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.3 tt -89.25 121.52 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 21.3 tt0 -152.31 136.2 9.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.05 84.85 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.343 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.1 mt -82.63 120.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.62 137.62 42.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.65 -118.29 6.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 74' ' ' TYR . 90.0 t -110.65 124.64 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 ttp85 -95.13 103.31 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.2 m95 -74.36 97.39 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.7 t60 -91.97 119.19 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 70' ' ' LEU . 49.2 t -51.21 148.77 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -103.12 -41.13 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.5 -52.72 64.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -49.16 151.51 2.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -11.17 30.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -98.64 -38.06 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.803 ' HG2' HD12 ' A' ' 63' ' ' ILE . 9.1 tpt -103.91 33.7 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 90.2 p -62.62 135.71 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.57 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.4 mt -105.02 165.43 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.08 126.69 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -123.56 132.11 53.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -70.09 150.24 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -40.05 -32.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -68.41 -43.34 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.4 m -96.98 24.29 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 58.0 p -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.43 16.42 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.33 154.47 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.5 tp -114.72 114.73 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 41.4 t60 -125.33 130.26 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 66' ' ' GLU . 12.2 mt-10 -122.94 123.21 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.2 p -126.09 -177.01 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -39.05 -48.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.803 HD12 ' HG2' ' A' ' 46' ' ' MET . 26.7 mt -105.11 -53.64 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -58.95 146.38 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -142.5 179.39 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 pt-20 -75.5 -39.93 57.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -60.55 -35.39 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.0 m170 -43.68 160.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -111.18 164.96 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 39' ' ' CYS . 80.9 mt -125.88 143.48 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 21.5 tt0 -109.97 115.81 54.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 38' ' ' HIS . 73.0 mt -96.28 98.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -65.37 -50.12 66.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 22.2 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -165.7 144.14 6.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.868 0.366 . . . . 0.0 110.819 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -173.86 129.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 159.88 24.19 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -140.34 159.84 41.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -168.79 155.26 6.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.2 -141.32 11.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -128.27 83.93 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -172.03 138.71 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.2 ptt? 38.25 36.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -73.44 -52.55 13.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 86.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' SER . 5.1 tp10 -170.53 158.12 6.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' GLU . 42.4 t -35.16 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.56 -44.2 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -148.09 152.67 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.739 HG21 ' HA ' ' A' ' 75' ' ' ARG . 70.8 t -64.7 132.88 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -106.14 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -87.17 113.5 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -93.26 139.26 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.32 -31.98 6.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -88.91 121.76 31.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 16.5 tttt -117.63 142.73 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.2 t -65.45 125.18 24.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 22.57 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -120.44 -60.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.6 p -97.97 -39.05 9.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.01 29.92 4.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.471 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.8 tt -88.14 121.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.5 tt0 -152.14 138.07 11.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.72 161.82 85.28 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.38 -0.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.4 mt -82.62 119.27 31.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -97.66 151.65 19.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.38 -121.1 5.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 74' ' ' TYR . 84.1 t -104.79 133.13 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -104.76 99.99 9.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.534 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.3 m95 -69.1 100.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.1 t60 -95.34 121.91 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.0 t -54.86 145.23 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -100.66 -40.43 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 12.5 t0 -60.88 -53.9 51.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -48.19 152.14 1.59 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.09 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.96 36.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.617 2.212 . . . . 0.0 112.393 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -95.12 -39.23 10.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.723 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -102.02 29.16 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.3 p -60.55 131.78 51.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' CG ' ' A' ' 64' ' ' HIS . 20.4 mt -102.36 164.74 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.18 125.12 12.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -119.44 141.01 49.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' CYS . 26.5 p -76.35 148.58 37.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.56 -35.69 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -65.61 -43.07 90.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 51' ' ' CYS . 85.2 m -97.92 24.25 7.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.6 p -74.87 -30.12 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -96.85 11.56 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.2 160.31 16.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.2 tp -120.21 116.69 26.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 64.3 t60 -124.05 133.0 53.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -125.13 118.65 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.406 ' CG2' ' CD2' ' A' ' 59' ' ' HIS . 7.0 p -123.11 -174.12 2.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -42.77 -47.65 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.723 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.7 mt -103.71 -56.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 50.3 t60 -56.55 146.07 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 49.0 mmtt -143.45 -179.94 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' HB2' HD21 ' A' ' 58' ' ' LEU . 8.7 pt-20 -76.29 -34.13 59.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.4 -33.87 76.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.1 m170 -47.54 158.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -112.79 162.39 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.0 mt -123.24 143.62 49.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -110.35 116.96 52.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.465 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.6 Cg_endo -69.75 100.05 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 38' ' ' HIS . 79.8 mt -93.07 97.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.734 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.22 -63.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.739 ' HA ' HG21 ' A' ' 17' ' ' VAL . 81.4 mtt180 -111.53 151.69 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 t -85.6 126.84 34.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -108.05 121.13 44.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -141.1 -164.17 9.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.8 14.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 t 51.96 41.39 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.2 p -41.78 158.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.494 -179.959 . . . . . . . . 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 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -93.75 106.93 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -90.98 134.74 34.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.94 57.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -103.13 144.51 31.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -139.22 141.65 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.98 75.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' GLN . 10.6 pt20 -127.1 170.11 12.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLN . 75.4 mm-40 36.13 43.55 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.9 ptp -102.71 41.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -161.62 150.09 15.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.36 16.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -81.47 141.3 33.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.9 t -133.22 103.04 5.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 16' ' ' PHE . . . 89.11 -117.26 4.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 18.8 m-85 -147.66 156.21 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.65 HG11 ' HA ' ' A' ' 75' ' ' ARG . 58.1 t -95.45 140.69 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.84 99.6 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -83.1 113.5 20.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -94.49 148.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.27 -33.74 4.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -90.53 130.92 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.0 tttp -122.91 145.29 48.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -68.37 146.26 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -98.31 -20.13 17.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.503 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -75.98 -57.82 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.414 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.8 p -103.49 -46.82 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 114.78 20.62 5.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -69.63 122.56 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.1 tt0 -151.9 133.19 7.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.671 0.748 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.75 161.38 86.28 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.347 -0.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.3 mt -81.76 117.93 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 31' ' ' PRO . 1.7 mp0 -96.39 133.23 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.16 -118.49 5.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.1 t -118.9 126.39 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.4 ttp-105 -92.71 110.2 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.59 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.4 m95 -77.92 95.38 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.591 ' HB3' HD11 ' A' ' 73' ' ' ILE . 11.6 t60 -87.05 121.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.45 ' HA ' HD23 ' A' ' 70' ' ' LEU . 28.8 t -57.44 144.26 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.05 -37.53 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.2 m-20 -62.42 -52.01 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.6 m -49.55 151.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.18 19.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -7.11 20.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -104.96 -28.73 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD12 ' A' ' 63' ' ' ILE . 11.4 tpt -110.44 28.75 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.7 p -57.6 131.01 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 64' ' ' HIS . 11.4 mt -102.39 164.5 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.08 127.23 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -126.85 124.35 39.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -65.61 144.99 56.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.35 -32.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.35 -46.92 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.503 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.2 m -90.62 21.13 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.59 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 90.3 p -72.98 -34.72 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.27 8.28 36.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.8 m -89.69 159.13 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tp -120.01 115.12 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 26.2 t60 -126.49 128.28 46.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -121.82 122.05 38.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 31.9 p -121.4 -175.45 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -42.24 -46.76 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.924 HD12 ' HG2' ' A' ' 46' ' ' MET . 20.8 mt -103.95 -54.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CG ' HD12 ' A' ' 48' ' ' LEU . 21.3 t60 -57.32 150.95 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -149.73 -179.32 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -79.68 -29.74 40.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -24.6 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.488 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.3 m170 -55.82 161.05 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.51 165.05 11.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 39' ' ' CYS . 84.9 mt -129.24 146.97 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 28.9 tt0 -114.3 115.93 44.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.1 Cg_endo -69.79 101.22 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.649 ' C ' HG13 ' A' ' 35' ' ' VAL . 53.0 mt -94.4 98.33 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.926 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.1 m-85 -66.72 -50.64 62.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.65 ' HA ' HG11 ' A' ' 17' ' ' VAL . 63.7 mtt-85 -114.22 153.56 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -66.54 124.33 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.8 p -99.48 43.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.58 150.47 16.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 0.16 6.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.2 p -110.96 160.34 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 m -70.21 105.71 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.447 -179.954 . . . . . . . . 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 -0.333 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -76.74 154.17 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.1 m -162.74 154.99 18.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.82 140.28 7.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -101.03 -33.28 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -169.59 159.46 8.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.91 52.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -55.09 -36.92 66.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.908 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' GLN . 6.7 pt20 37.4 41.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 40.5 mmm -127.38 88.0 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -164.28 142.43 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.92 108.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' SER . 8.4 tp10 -170.41 167.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLU . 2.1 t -35.65 126.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.82 -53.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -143.95 168.5 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.6 t -82.75 126.13 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -98.26 100.39 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -80.63 113.55 18.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.46 135.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.9 -27.63 19.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -98.21 129.58 44.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 21.4 tttt -121.65 143.21 49.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.7 t -69.93 141.94 53.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.03 -14.66 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.498 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.89 -55.14 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.629 ' SG ' HG22 ' A' ' 29' ' ' ILE . 28.0 p -104.42 -46.23 4.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.15 24.13 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.629 HG22 ' SG ' ' A' ' 27' ' ' CYS . 6.2 tt -76.3 125.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.2 tt0 -151.87 132.26 7.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.69 164.7 78.33 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.388 -0.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.7 124.25 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -99.32 144.04 28.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.8 -123.01 6.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.5 t -105.82 136.65 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -103.54 97.58 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.525 ' NE1' ' CB ' ' A' ' 55' ' ' SER . 92.8 m95 -67.47 98.57 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -94.25 121.97 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.8 t -54.22 146.35 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -101.06 -40.75 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' HB3' ' ND1' ' A' ' 68' ' ' HIS . 5.2 t0 -63.62 -54.81 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -44.87 152.29 0.57 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.14 25.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -9.08 25.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -100.88 -38.51 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.721 ' HG2' HD12 ' A' ' 63' ' ' ILE . 2.9 tpt -102.97 25.81 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -58.04 129.73 43.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 HD12 ' CG ' ' A' ' 64' ' ' HIS . 8.6 mt -98.56 162.95 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -140.7 129.08 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -125.42 131.69 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.4 p -71.14 145.62 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -37.03 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 t -70.97 -45.36 64.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.498 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 82.9 m -94.21 22.95 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.525 ' CB ' ' NE1' ' A' ' 37' ' ' TRP . 47.1 p -72.26 -38.62 68.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -88.09 11.39 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.0 154.52 18.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.15 116.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 15.6 t60 -124.71 130.1 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -122.64 118.69 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 p -121.19 -176.46 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -43.06 -45.32 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.721 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -104.92 -51.02 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 22.5 t60 -60.35 149.71 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -149.04 179.13 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.99 -38.41 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.73 -29.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB3' ' A' ' 41' ' ' ASP . 14.7 m170 -53.07 152.88 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -104.35 165.24 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.4 mt -125.48 148.67 48.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -114.63 114.11 44.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.74 101.51 0.92 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 72.1 mt -94.78 98.09 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.7 m-85 -67.57 -46.08 73.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -119.06 148.42 43.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -64.71 110.14 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.5 p -100.13 153.23 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.81 -150.17 26.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 123.76 10.45 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.1 m -96.75 125.52 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' GLY . 8.7 t -66.6 130.41 43.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 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 1.452 -0.285 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -73.81 171.99 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -163.36 152.42 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.58 175.5 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -108.08 154.89 21.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -78.76 -44.98 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.82 -179.89 21.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -92.68 111.37 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.947 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -128.02 -43.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.9 ttt -63.81 96.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -86.53 113.67 22.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.51 166.89 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -109.36 118.94 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.7 p -70.43 120.68 16.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.3 -68.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -113.77 158.8 20.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 75' ' ' ARG . 79.4 t -100.45 138.02 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -112.49 112.33 23.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -94.95 113.56 25.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.8 t -94.15 132.87 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.3 -32.26 7.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 36' ' ' ARG . 60.6 m-85 -91.45 124.34 35.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HE3' ' CA ' ' A' ' 28' ' ' GLY . 8.7 tttp -117.25 145.98 43.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.478 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.0 t -69.89 140.81 53.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.1 -17.28 22.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -76.79 -59.03 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.9 p -102.38 -48.85 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 116.5 26.54 3.1 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.22 126.45 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.6 tt0 -151.77 134.21 8.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.79 166.94 72.83 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.332 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' C ' ' A' ' 23' ' ' LYS . 82.5 mt -86.0 114.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.34 145.81 24.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.85 -124.52 7.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 74' ' ' TYR . 78.0 t -105.5 134.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 22' ' ' PHE . 36.8 ttp85 -101.25 97.36 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 89.2 m95 -67.33 96.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB3' HD11 ' A' ' 73' ' ' ILE . 4.9 t60 -91.56 123.9 35.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 30.9 t -56.43 143.38 35.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -101.48 -33.9 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 45.5 t0 -66.67 -55.93 12.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.4 m -44.52 151.44 0.59 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 168.12 22.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.59 26.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.96 -26.72 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.767 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -114.33 27.1 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 m -57.23 136.97 56.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 64' ' ' HIS . 22.6 mt -110.26 164.96 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -143.52 128.21 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -122.59 134.34 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -72.36 145.13 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.79 -33.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.2 t -66.25 -45.92 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 78.6 m -94.03 22.73 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.568 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.5 p -71.15 -39.62 71.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.09 14.74 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.9 m -92.84 154.91 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -115.93 111.28 20.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 20.9 t60 -119.91 131.1 55.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -124.84 118.52 26.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.4 p -122.77 -174.64 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -41.83 -49.13 4.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.767 HD12 ' HG2' ' A' ' 46' ' ' MET . 43.1 mt -102.52 -56.3 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 61.5 t60 -58.56 149.01 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -147.18 -177.64 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 58' ' ' LEU . 7.3 pt-20 -76.77 -40.57 47.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.14 -35.46 73.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 14.8 m170 -46.48 153.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.86 164.58 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.12 143.75 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -112.08 114.9 50.91 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.78 102.38 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 38' ' ' HIS . 66.3 mt -94.69 98.38 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.772 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.41 -47.69 72.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.587 ' HA ' HG11 ' A' ' 17' ' ' VAL . 9.6 mmm180 -118.81 147.51 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 77' ' ' SER . 93.1 p -58.74 113.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 76' ' ' SER . 94.8 p 36.27 40.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -136.93 84.05 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 116.21 4.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.343 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.9 t -81.34 106.42 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' GLY . 88.4 p -111.85 96.57 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 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 1.45 -0.387 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -81.5 96.21 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -60.12 -52.95 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.68 -128.54 36.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -113.93 132.96 55.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.82 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -134.22 127.88 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.37 174.18 13.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -128.16 151.71 48.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.81 -39.8 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -86.4 50.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -100.93 -55.01 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 155.43 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' SER . 6.0 mm-40 -69.14 168.98 12.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLU . 55.2 m -37.49 -57.1 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.14 -60.88 4.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.31 152.23 40.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.639 HG11 ' HA ' ' A' ' 75' ' ' ARG . 89.7 t -76.75 126.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -97.42 101.01 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -85.66 113.59 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.6 t -94.25 139.67 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -24.85 29.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -101.45 127.65 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 7.5 tttp -118.99 144.08 46.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.448 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.5 t -67.31 136.84 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -89.98 -14.81 33.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -79.99 -65.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -96.1 -48.01 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.92 19.25 4.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.9 tt -70.76 123.46 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 24.0 tt0 -152.0 134.52 8.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.3 Cg_endo -69.72 163.23 82.26 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.385 -0.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -83.44 121.11 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.12 149.97 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' VAL . . . 83.54 -119.56 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG13 ' C ' ' A' ' 73' ' ' ILE . 54.0 t -106.05 136.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.086 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 ttp85 -105.08 94.3 5.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.7 m95 -65.78 95.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.0 t60 -92.46 121.99 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.8 t -52.49 146.97 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -104.86 -34.95 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.487 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 42.5 t0 -66.43 -52.69 43.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.2 m -46.96 152.89 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.35 19.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.85 27.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -101.33 -34.8 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.862 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.1 tpt -105.01 29.7 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.5 p -58.04 133.89 55.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.1 mt -105.2 165.06 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.38 130.85 18.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.78 134.96 49.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.6 p -72.95 143.88 47.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -34.02 -34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -65.2 -48.21 74.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 86.2 m -90.41 22.61 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.54 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.0 p -72.65 -27.42 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -100.93 10.41 41.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.2 m -90.19 155.51 18.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -116.33 119.63 36.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -128.35 133.53 48.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.06 118.55 26.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.5 p -121.44 -175.11 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -44.03 -45.8 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.862 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.4 mt -105.28 -54.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.583 ' CG ' HD12 ' A' ' 48' ' ' LEU . 68.4 t60 -60.33 143.49 52.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -139.74 -176.23 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -81.62 -26.32 34.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.17 -22.73 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.487 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 15.0 m170 -57.63 153.75 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -104.45 160.88 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -122.22 148.54 44.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.31 115.21 42.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.664 0.745 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.79 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 38' ' ' HIS . 72.8 mt -95.32 98.31 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.521 ' O ' HG21 ' A' ' 17' ' ' VAL . 2.8 m-85 -64.99 -50.7 65.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.639 ' HA ' HG11 ' A' ' 17' ' ' VAL . 17.4 mmm180 -113.55 151.57 31.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -59.67 139.0 57.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.8 t -78.74 51.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -130.53 153.95 20.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 86.78 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.9 m -107.28 177.09 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.4 p -47.0 144.11 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.486 179.999 . . . . . . . . 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 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -60.52 117.47 5.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -168.72 177.43 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.83 104.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -91.81 93.05 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -135.0 153.7 51.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.06 51.73 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.5 122.15 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -81.38 114.11 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.2 ptp -153.36 124.12 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -154.49 -176.8 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 11' ' ' GLN . . . 67.87 47.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -82.18 75.44 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -175.0 177.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.796 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.11 -147.44 19.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -143.63 176.82 8.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.432 HG11 ' HA ' ' A' ' 75' ' ' ARG . 83.9 t -111.29 129.27 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -113.56 104.26 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -85.87 113.51 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -90.31 135.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.44 -32.47 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' NE ' ' A' ' 36' ' ' ARG . 37.0 m-85 -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.402 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.5 tttp -117.2 147.6 42.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.9 t -70.19 131.62 44.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -91.67 27.04 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.45 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -128.79 -62.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.63 -34.95 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.85 30.82 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.6 tt -86.14 123.83 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 12.4 tt0 -151.89 133.71 8.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.5 Cg_endo -69.8 165.35 76.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.657 -1.809 . . . . 0.0 112.348 0.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.431 HD11 ' C ' ' A' ' 23' ' ' LYS . 88.4 mt -83.78 121.66 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mp0 -99.73 141.82 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.86 -122.58 7.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.781 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.0 t -108.5 128.73 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' NE ' ' CG ' ' A' ' 22' ' ' PHE . 28.3 ttp85 -96.75 108.26 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 72' ' ' PRO . 90.9 m95 -77.97 91.93 4.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.551 ' HB3' HD11 ' A' ' 73' ' ' ILE . 6.8 t60 -85.72 118.47 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' HA ' HD23 ' A' ' 70' ' ' LEU . 18.5 t -52.2 148.15 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -102.93 -40.47 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -62.29 -56.2 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 150.63 0.41 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 53.8 Cg_endo -69.82 169.29 19.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.61 29.0 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -103.14 -28.97 11.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.898 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.0 tpt -111.93 23.16 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.9 m -57.38 128.64 38.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 64' ' ' HIS . 13.9 mt -101.15 165.06 11.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -149.92 128.33 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -120.71 145.74 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' CYS . 24.5 p -76.98 149.82 35.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -37.18 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 t -64.53 -41.56 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 76.6 m -98.06 23.31 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 53.9 p -73.92 -35.41 64.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.46 14.66 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -92.47 154.76 18.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -115.53 110.53 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.0 t60 -125.28 123.8 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -118.77 120.81 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.8 p -119.6 -174.72 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -39.66 -49.75 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.898 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.6 mt -102.5 -56.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 14.9 t60 -53.46 153.0 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -153.33 178.94 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.11 -38.18 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -61.7 -34.73 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.52 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.7 m170 -46.89 156.65 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -107.18 165.39 11.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.2 mt -126.7 143.86 51.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.95 113.06 57.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.68 99.6 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.551 HD11 ' HB3' ' A' ' 38' ' ' HIS . 58.8 mt -93.49 98.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.781 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.2 m-85 -67.7 -48.87 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.432 ' HA ' HG11 ' A' ' 17' ' ' VAL . 14.9 mmt180 -118.26 156.73 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 t -79.48 102.73 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -96.72 139.69 32.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -159.41 28.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.62 8.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.3 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 m -133.81 169.15 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -153.28 140.19 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.489 -179.968 . . . . . . . . 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 -0.341 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -145.8 116.47 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -149.43 149.6 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.98 89.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -127.54 107.78 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -90.55 168.35 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 69.43 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -80.61 165.08 22.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.64 134.56 32.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.2 ttm -168.31 118.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.83 160.46 23.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.61 168.68 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -45.67 129.39 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.6 p -44.33 -48.74 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.49 -66.31 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -131.98 160.71 35.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.67 131.25 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -104.09 101.31 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -84.79 113.47 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.97 132.04 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.64 -33.61 6.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -87.98 141.87 28.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 7.5 tttp -134.2 142.95 47.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 44.2 t -68.68 130.39 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.84 18.71 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.2 t30 -117.46 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.6 p -91.09 -29.62 17.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.9 30.47 8.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 29' ' ' ILE . 6.7 tt -85.41 122.24 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.9 tt0 -152.17 134.08 8.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.4 Cg_endo -69.81 163.44 81.94 Favored 'Cis proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.373 0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -82.2 125.7 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -103.28 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.6 -125.02 6.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 74' ' ' TYR . 69.8 t -108.02 123.04 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -90.6 111.29 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.6 m95 -81.13 96.41 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.589 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -89.69 119.23 29.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.472 ' HA ' HD23 ' A' ' 70' ' ' LEU . 38.3 t -52.56 148.76 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -105.62 -39.96 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.74 -49.68 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.9 m -52.28 152.82 5.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.38 24.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.93 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -113.45 -28.87 7.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 tpt -110.28 30.38 6.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 91.0 p -60.46 141.94 55.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -112.03 164.92 12.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -139.81 131.18 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -132.16 128.35 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.8 p -68.85 146.9 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -35.1 -33.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 5.1 t -67.98 -47.0 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 61.4 m -94.78 23.97 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 53.4 p -73.29 -37.08 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.09 15.7 12.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.86 162.97 18.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 66' ' ' GLU . 9.3 tp -120.42 109.39 15.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.587 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 35.5 t60 -122.05 127.08 49.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -124.14 120.37 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -123.81 -175.62 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -42.12 -42.22 2.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.6 mt -109.25 -51.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CG ' HD12 ' A' ' 48' ' ' LEU . 23.8 t60 -61.17 151.24 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 42.6 mmtt -150.84 177.26 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.627 ' HB2' HD11 ' A' ' 58' ' ' LEU . 9.9 pt-20 -72.28 -42.17 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.96 -32.81 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 10.3 m170 -47.81 151.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -101.87 166.34 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 39' ' ' CYS . 87.0 mt -129.68 141.64 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -108.09 114.23 59.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.3 Cg_endo -69.73 102.15 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.589 HD11 ' HB3' ' A' ' 38' ' ' HIS . 56.7 mt -94.9 99.16 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.88 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -67.44 -55.3 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -112.76 161.68 16.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 t -92.28 90.15 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -76.58 120.07 21.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.03 176.73 31.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.32 9.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.5 t -76.46 97.23 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -83.59 107.46 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.491 -179.948 . . . . . . . . 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 -0.352 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -106.53 144.55 33.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -81.57 44.1 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.77 -112.91 3.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m 56.31 41.62 28.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.823 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -65.4 144.05 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.7 94.08 0.49 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -150.49 151.06 32.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -80.73 85.87 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.21 149.57 38.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -109.28 126.01 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.22 152.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -101.22 88.54 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -143.29 160.03 41.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.81 -95.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -110.36 172.01 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 74' ' ' TYR . 45.7 t -112.4 137.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -110.4 100.73 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -87.22 113.4 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.1 t -95.16 133.06 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.48 -31.87 8.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -91.87 120.37 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.963 0.411 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.9 tttt -115.28 139.18 50.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.97 127.5 32.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -89.6 23.62 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.3 t30 -122.3 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.9 p -94.12 -39.08 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 30.63 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.9 tt -89.55 120.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.7 tt0 -152.37 138.8 12.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.47 83.97 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.374 -0.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.87 113.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -98.6 115.41 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.79 -122.98 4.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG22 ' HA ' ' A' ' 74' ' ' TYR . 58.5 t -107.8 124.76 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -93.2 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 85.9 m95 -81.75 96.68 7.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.569 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.1 t60 -88.6 122.96 32.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -60.45 145.24 48.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -97.42 -38.26 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -62.74 -51.33 67.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -51.31 150.04 6.64 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HB2' ' CD ' ' A' ' 45' ' ' GLU . 53.9 Cg_endo -69.71 168.03 22.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 43' ' ' PRO . 10.0 pm0 -104.69 -32.28 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.816 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.2 tpt -108.55 31.71 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -58.43 149.41 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 34.2 mt -120.08 164.64 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 2.3 p-10 -142.05 126.47 17.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -122.67 131.26 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' CYS . 25.4 p -69.93 144.79 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -35.56 -37.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.17 -45.72 87.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 73.1 m -93.72 20.52 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 27.7 p -69.49 -39.14 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -92.3 13.3 19.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.26 164.27 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -120.55 111.52 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -123.48 128.15 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -119.5 126.8 52.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.9 p -126.69 -178.62 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -41.25 -47.02 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.816 HD12 ' HG2' ' A' ' 46' ' ' MET . 44.8 mt -105.58 -50.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 48.5 t60 -61.19 151.08 32.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 33.2 mmtt -146.61 -175.59 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.6 pt-20 -78.87 -45.26 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -36.13 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 11.1 m170 -41.76 157.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -107.34 164.17 12.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 39' ' ' CYS . 88.0 mt -128.24 146.95 50.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -116.09 114.51 41.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.4 Cg_endo -69.73 101.69 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.632 2.222 . . . . 0.0 112.397 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.0 mt -95.18 101.9 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.808 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -69.7 -51.85 30.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 1.5 mpt_? -118.97 149.14 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' SER . 10.2 t -87.34 93.53 9.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' SER . 1.1 t -35.19 -63.94 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.55 90.49 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 173.79 10.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 t -144.17 119.45 10.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -169.66 177.45 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.498 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -102.5 126.97 49.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.1 p -49.84 -38.92 37.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.47 -175.92 50.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -127.54 129.39 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -124.45 141.79 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.46 172.15 18.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -148.77 170.19 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' MET . 9.5 tp60 -160.36 141.62 12.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -35.96 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -163.51 122.76 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.72 127.22 32.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -141.69 139.52 32.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.3 m -61.87 -49.01 77.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.94 -100.35 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -136.63 151.94 49.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.389 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -75.33 135.81 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.05 100.22 8.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -79.26 113.38 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.4 t -94.5 145.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.4 -35.4 4.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -86.46 154.76 20.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.662 ' C ' HD11 ' A' ' 32' ' ' ILE . 9.7 tttp -147.95 141.99 25.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.621 ' N ' HD11 ' A' ' 32' ' ' ILE . 48.9 t -67.12 126.38 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -81.17 -8.2 59.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.47 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -85.39 -69.54 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' SG ' HG22 ' A' ' 29' ' ' ILE . 25.0 p -90.96 -47.15 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.74 29.86 2.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.457 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.4 tt -82.31 120.64 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -150.49 136.51 10.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.659 0.743 . . . . 0.0 110.853 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.81 158.09 91.52 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.369 0.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' C ' ' A' ' 23' ' ' LYS . 81.6 mt -83.99 119.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -105.18 141.18 37.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.64 -120.31 6.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.6 t -112.37 117.78 56.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -87.91 101.91 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.537 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 85.8 m95 -74.44 96.59 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.6 t60 -92.27 120.25 32.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' HD23 ' A' ' 70' ' ' LEU . 35.5 t -50.36 149.82 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -107.5 -38.56 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.3 m-20 -62.84 -50.94 68.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.0 m -49.94 150.9 3.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.6 18.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.6 4.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -111.84 -34.47 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -103.35 24.68 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.9 p -57.26 132.55 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD12 ' CD2' ' A' ' 64' ' ' HIS . 29.8 mt -111.96 163.97 13.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.5 129.71 31.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -122.97 132.61 54.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.2 p -73.86 145.65 44.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.63 -35.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -64.67 -45.97 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 69.8 m -94.81 22.58 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.3 p -69.42 -37.88 77.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -95.65 15.48 19.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.63 164.63 15.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 66' ' ' GLU . 8.2 tp -120.63 109.41 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 47.2 t60 -125.43 118.65 26.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -113.8 125.16 53.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 29.8 p -122.25 -174.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.3 -49.97 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 46' ' ' MET . 42.5 mt -104.67 -54.24 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 13.6 t60 -52.04 154.03 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 31.4 mmtt -153.08 176.96 11.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' HD11 ' A' ' 58' ' ' LEU . 11.7 pt-20 -73.75 -43.94 57.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -56.3 -34.99 67.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 12.9 m170 -46.46 161.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -108.88 166.87 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 39' ' ' CYS . 85.3 mt -129.55 142.22 50.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 11.4 tt0 -109.14 114.11 58.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.537 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.78 101.88 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.519 HD11 ' HB3' ' A' ' 38' ' ' HIS . 65.6 mt -93.91 98.73 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.622 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.7 m-85 -65.68 -48.15 73.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -123.67 147.29 47.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.1 t -64.64 139.08 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.2 p -43.27 -62.84 0.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.27 -72.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -46.1 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.306 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -51.8 -43.6 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -53.81 -62.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.495 -179.979 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -64.26 139.35 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -149.79 157.87 43.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.77 170.66 25.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -145.63 152.3 39.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -164.91 114.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 151.11 6.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 152.38 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -119.03 -44.32 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.9 ttt -130.17 126.21 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -51.48 164.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.27 40.61 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.06 -59.67 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -151.6 140.14 20.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.48 -46.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.9 147.64 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.2 t -91.45 144.32 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -120.99 99.56 6.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -82.1 113.48 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -95.76 137.69 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.22 -35.11 5.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.34 128.89 35.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -122.04 129.46 52.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -57.44 124.86 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.17 13.16 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.4 t30 -110.43 -69.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.579 ' SG ' HG22 ' A' ' 29' ' ' ILE . 30.3 p -90.66 -26.25 19.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 21.95 31.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -76.95 116.25 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.1 tt0 -148.76 135.72 10.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.7 163.22 82.23 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.35 -0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.42 127.91 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -105.19 150.38 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.5 -120.58 5.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 74' ' ' TYR . 88.8 t -106.68 130.19 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 49' ' ' ASP . 49.1 ttp85 -100.56 99.8 10.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 87.8 m95 -68.62 97.81 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.3 t60 -92.96 123.75 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -55.14 143.47 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -101.1 -36.61 8.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 31.3 t0 -64.04 -55.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 m -43.44 153.86 0.36 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.31 28.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.34 8.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -110.2 -33.39 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.617 ' HG2' HD12 ' A' ' 63' ' ' ILE . 5.9 tpt -106.85 29.87 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.6 p -57.94 139.05 55.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' CG ' ' A' ' 64' ' ' HIS . 21.5 mt -110.5 164.87 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' HB3' ' CG ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -143.96 127.43 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.0 138.23 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' CYS . 19.6 p -73.53 148.25 43.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.82 -34.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 t -66.58 -41.21 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 77.3 m -98.18 22.8 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 69.0 p -69.9 -40.23 75.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.07 15.32 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.2 m -91.15 155.94 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 tp -117.41 113.17 21.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.542 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.4 t60 -123.35 131.81 53.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.27 118.59 26.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.9 p -121.48 -174.48 2.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.06 -50.79 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -101.07 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.561 ' CG ' HD12 ' A' ' 48' ' ' LEU . 59.7 t60 -58.2 147.38 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 22.7 mmtp -143.8 -176.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -77.59 -41.79 37.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -34.9 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.7 m170 -46.21 153.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -106.34 164.6 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.9 mt -125.03 147.99 48.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.49 115.38 42.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.2 Cg_endo -69.76 99.84 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 38' ' ' HIS . 46.6 mt -92.89 99.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.713 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -67.31 -45.12 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -120.11 146.35 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.5 t -73.36 137.43 44.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 p -67.77 172.83 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.05 -155.67 16.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -5.45 16.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -85.52 41.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.9 p -100.3 43.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.51 -179.998 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -85.05 124.5 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -47.86 150.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.54 -174.46 14.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -113.47 118.06 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -99.53 154.97 17.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.88 139.7 3.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.51 151.2 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.742 0.306 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -131.62 171.86 12.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 91.0 mtp -90.36 89.77 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -158.73 170.14 22.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.45 133.8 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -156.27 168.23 27.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 t -88.59 129.83 35.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.18 -64.26 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -128.41 152.12 48.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.1 t -100.97 132.49 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -108.29 100.04 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -77.65 115.09 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.5 t -92.18 136.2 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.89 -35.55 4.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' NH2' ' A' ' 36' ' ' ARG . 93.0 m-85 -85.82 133.74 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 1.7 tmtt? -129.17 128.28 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 37.5 t -59.34 124.25 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -82.74 3.05 30.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.06 -69.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.54 ' SG ' HG22 ' A' ' 29' ' ' ILE . 29.8 p -91.56 -34.44 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 102.62 20.14 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -74.73 115.86 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -149.01 134.36 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.71 161.8 85.3 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.325 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 67.4 mt -82.73 127.04 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -103.59 149.11 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.05 -119.67 5.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.726 HG22 ' HA ' ' A' ' 74' ' ' TYR . 68.9 t -107.7 132.57 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' NH2' ' CE2' ' A' ' 22' ' ' PHE . 46.6 ttp85 -103.71 108.58 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.0 m95 -77.16 94.44 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.512 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -89.97 124.01 34.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.5 t -56.81 144.62 32.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -104.38 -36.01 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 11.2 t0 -65.19 -44.96 86.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -54.6 152.67 12.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.56 18.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.264 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 0.4 5.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.268 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -110.6 -32.53 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -105.27 28.4 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.0 p -57.4 116.13 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.863 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 64' ' ' HIS . 12.1 mt -94.74 164.88 12.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.36 133.64 23.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -129.79 129.57 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' CYS . 30.6 p -67.99 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.51 -37.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.47 -43.55 96.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 73.1 m -96.58 22.24 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.492 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 54.9 p -71.77 -38.25 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -91.28 14.61 13.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 m -93.05 154.18 18.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.4 122.8 46.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 9.7 t60 -132.57 132.15 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -124.09 119.05 28.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 p -121.9 -175.25 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.21 -50.05 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' SD ' ' A' ' 46' ' ' MET . 18.2 mt -100.38 -53.96 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 48' ' ' LEU . 42.5 t60 -58.48 154.75 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 37.7 mmtt -150.15 -179.63 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -78.51 -42.04 30.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -31.69 69.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 65' ' ' LYS . 13.5 m170 -48.65 155.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -108.05 166.05 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.6 mt -126.11 148.42 49.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -114.62 115.57 44.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.9 Cg_endo -69.75 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 38' ' ' HIS . 71.8 mt -93.78 98.13 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.726 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.8 m-85 -66.38 -51.58 55.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -119.4 140.78 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 141.65 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.7 t -92.9 149.31 21.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.56 -173.89 34.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 171.78 13.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.9 p -122.65 93.37 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -117.17 90.77 3.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.488 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -45.93 -45.62 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -79.97 136.0 36.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.64 159.98 13.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -46.4 122.89 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -90.28 -58.17 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.61 173.99 45.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.82 140.36 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.71 0.291 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -82.36 149.79 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 71.5 mmm -115.28 106.43 14.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -30.06 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.84 135.35 34.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -84.46 -44.42 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -97.78 146.37 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.74 -66.45 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -140.24 155.5 46.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.528 HG11 ' HA ' ' A' ' 75' ' ' ARG . 95.9 t -80.27 124.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.83 99.54 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -85.19 113.71 21.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.76 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.33 -33.9 3.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -87.09 123.56 32.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 23.6 tttt -120.34 142.63 48.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 49.0 t -68.62 125.87 27.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 -5.24 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER -88.47 -68.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -91.38 -43.64 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.48 26.52 4.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.6 tt -82.53 122.4 37.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 25.2 tt0 -152.14 136.25 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.1 Cg_endo -69.79 161.79 85.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.36 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -81.71 119.47 31.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -99.07 143.83 28.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -117.09 5.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.0 t -109.16 133.72 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 111.099 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -104.2 94.62 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 89.0 m95 -66.79 96.01 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.71 122.13 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' HD23 ' A' ' 70' ' ' LEU . 47.9 t -53.32 148.88 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -104.67 -40.4 6.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.71 -52.79 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.7 m -48.75 151.63 2.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.35 19.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.32 32.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -97.17 -38.92 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.8 tpt -103.74 32.17 4.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.5 p -61.91 134.83 57.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 64' ' ' HIS . 47.0 mt -104.77 165.3 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -142.09 124.78 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -120.04 134.79 55.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -74.57 150.88 39.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.77 -33.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 t -66.91 -47.32 72.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 60.0 m -94.51 23.35 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 52.2 p -72.13 -38.79 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -92.9 15.75 14.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.97 164.22 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.56 108.98 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.604 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.4 t60 -120.75 129.85 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -125.2 124.19 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -126.83 -174.57 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -39.3 -50.35 2.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.64 -55.21 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 46.9 t60 -55.67 149.37 14.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -148.92 -179.63 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.38 -46.05 51.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.36 -38.06 62.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.1 m170 -43.19 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -111.82 165.88 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 39' ' ' CYS . 66.5 mt -127.9 142.61 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -111.06 117.17 50.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.644 0.735 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.527 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.75 104.9 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 91.5 mt -97.85 98.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' O ' HG21 ' A' ' 17' ' ' VAL . 2.6 m-85 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.528 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.4 ptt180 -129.04 145.55 51.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.0 p -60.59 142.96 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' SER . 93.9 p -38.34 154.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.26 -155.4 52.69 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.15 22.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 p -122.74 152.91 40.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.1 t -92.62 81.57 4.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.47 -179.982 . . . . . . . . 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 -0.3 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -73.28 131.65 42.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -111.9 99.55 8.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.01 63.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -106.63 173.4 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -85.61 137.04 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.54 141.21 38.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -134.14 168.75 18.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -82.03 135.59 35.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 ttt -171.27 139.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 67.83 41.06 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.72 154.72 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -112.53 147.9 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.0 p -108.57 123.38 48.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -84.82 0.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -144.72 155.25 43.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' A' ' 75' ' ' ARG . 64.8 t -103.96 141.61 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.02 100.35 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -78.37 113.43 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.6 t -94.7 145.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.34 -35.4 4.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CE1' ' NH1' ' A' ' 36' ' ' ARG . 24.0 m-85 -86.14 148.5 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -141.2 127.36 19.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.25 126.55 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.72 2.43 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.499 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -97.83 -70.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -89.18 -38.35 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.41 16.85 12.24 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.645 HG22 ' SG ' ' A' ' 27' ' ' CYS . 4.6 tt -70.32 115.67 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 15.3 tt0 -148.77 133.7 9.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.73 163.52 81.51 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.37 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.7 mt -87.03 124.47 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.26 135.22 50.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.42 -121.94 7.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 74' ' ' TYR . 75.1 t -107.1 122.35 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.512 ' NH1' ' CE1' ' A' ' 22' ' ' PHE . 44.4 ttp180 -96.12 96.94 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.587 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 85.5 m95 -68.35 95.38 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.532 ' HB3' HD11 ' A' ' 73' ' ' ILE . 6.9 t60 -89.46 124.35 34.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.3 t -57.75 142.2 46.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -99.72 -36.53 9.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 9.2 t0 -63.12 -55.82 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.2 m -45.0 153.35 0.51 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.729 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 166.85 26.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.262 . . . . 0.0 112.334 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -2.07 9.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -109.56 -32.4 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.6 tpt -107.14 28.93 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -57.4 137.47 56.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.0 mt -107.11 164.65 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.38 124.66 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -124.18 125.92 45.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -70.32 148.7 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.25 -29.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.9 t -70.71 -44.33 67.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.499 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 67.6 m -95.02 17.42 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.587 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 64.9 p -69.03 -38.33 79.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -90.96 10.58 25.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.09 160.44 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -120.07 117.56 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 24.0 t60 -126.66 132.29 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -123.64 119.58 30.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 p -124.19 -176.13 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -44.4 -46.56 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.76 -53.36 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' HD12 ' A' ' 48' ' ' LEU . 64.6 t60 -62.99 146.52 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 60.4 mmtt -143.38 178.23 7.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -77.01 -26.84 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -74.27 -25.81 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 12.9 m170 -53.78 158.17 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -106.54 163.18 13.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.1 148.2 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -116.9 114.48 39.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.5 Cg_endo -69.66 106.24 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 38' ' ' HIS . 63.6 mt -98.8 98.43 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.429 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -66.32 -39.06 89.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -128.39 156.8 42.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 t -76.23 134.38 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.3 p -84.34 174.64 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.81 -156.65 11.97 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 112.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -145.39 148.89 33.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -41.77 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.46 -179.956 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -128.22 137.59 52.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -89.25 131.03 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.16 -142.22 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 t -79.74 98.69 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -103.7 -31.43 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.5 -169.14 21.62 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HG3' ' CE ' ' A' ' 10' ' ' MET . 9.0 pt20 -116.64 128.34 55.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -85.51 155.35 21.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 8' ' ' GLN . 23.6 mmt -104.11 87.63 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -167.6 146.91 4.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.42 95.06 4.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.33 152.82 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t -146.33 160.37 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.87 113.82 0.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -144.41 177.21 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.735 HG21 ' HD3' ' A' ' 75' ' ' ARG . 85.3 t -104.92 140.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.45 99.86 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -79.19 115.49 18.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -93.37 138.63 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 -32.77 6.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -89.9 126.06 35.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' C ' HD11 ' A' ' 32' ' ' ILE . 18.4 tttt -121.89 139.29 53.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -63.24 136.19 57.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -13.62 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.506 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -80.21 -60.75 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 29' ' ' ILE . 26.3 p -100.71 -47.44 4.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.16 23.4 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.2 tt -75.62 122.68 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 11.5 tt0 -152.24 137.96 11.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.79 160.69 87.7 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 -1.817 . . . . 0.0 112.345 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' C ' ' A' ' 23' ' ' LYS . 73.3 mt -84.39 120.17 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.97 151.41 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.15 -118.7 5.36 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 74' ' ' TYR . 70.7 t -110.28 127.09 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.2 ttp85 -97.72 104.06 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.474 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.3 m95 -73.52 99.19 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.7 t60 -94.55 121.99 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.7 t -55.02 145.48 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.5 -40.84 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB3' ' CG ' ' A' ' 68' ' ' HIS . 46.6 t0 -62.1 -55.71 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -44.35 152.31 0.51 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.77 26.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -5.44 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -105.16 -32.69 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.504 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -108.3 27.04 9.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 78.9 p -57.58 134.09 55.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD12 ' CG ' ' A' ' 64' ' ' HIS . 15.9 mt -104.14 164.34 11.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.57 126.48 17.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -121.68 134.38 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.81 145.88 44.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -35.4 -35.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.55 -46.5 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 64.6 m -94.47 23.4 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 61.4 p -70.76 -36.77 73.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -93.63 14.91 17.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.7 m -90.81 157.39 17.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.74 118.76 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.466 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.5 t60 -128.41 132.94 48.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.52 118.71 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.0 p -121.16 -174.89 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -45.5 -43.52 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.504 HD12 ' HG2' ' A' ' 46' ' ' MET . 32.6 mt -107.05 -52.61 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.506 ' CG ' HD12 ' A' ' 48' ' ' LEU . 49.6 t60 -59.68 148.7 32.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 68' ' ' HIS . 38.3 mmtt -146.81 177.4 9.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.15 -38.21 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.8 -33.55 75.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB3' ' A' ' 41' ' ' ASP . 13.6 m170 -47.59 150.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -102.67 165.17 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.7 mt -124.47 148.63 47.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.11 113.1 43.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.689 0.757 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.71 100.42 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.349 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' A' ' 38' ' ' HIS . 54.4 mt -92.67 97.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.688 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.4 m-85 -64.88 -56.12 15.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.735 ' HD3' HG21 ' A' ' 17' ' ' VAL . 49.3 mmt-85 -110.74 158.09 19.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.1 p -69.73 144.21 52.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.799 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -107.89 147.17 31.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 145.0 -120.44 1.38 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 113.22 3.31 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -135.52 157.05 47.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 64.7 p -103.23 135.91 43.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.488 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 m -156.4 125.45 6.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -87.85 169.96 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.21 175.03 21.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -104.6 164.64 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -165.75 150.72 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.55 102.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -145.07 163.3 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.13 103.07 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.31 110.53 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -122.47 134.03 54.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.02 110.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.62 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -155.82 152.56 28.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.69 -80.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -133.91 161.76 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -98.95 139.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -110.98 99.98 8.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -79.04 113.87 17.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -93.03 139.56 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.16 -32.04 6.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -91.18 123.92 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' A' ' 24' ' ' CYS . 8.3 tttp -117.45 146.47 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 42.6 t -70.73 137.37 49.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.8 m-20 -88.71 -17.0 30.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.7 t30 -77.07 -67.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.2 p -94.67 -49.66 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.449 ' CA ' ' HE3' ' A' ' 23' ' ' LYS . . . 117.41 28.34 2.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 tt -77.64 123.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 19.2 tt0 -151.55 133.47 8.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.1 Cg_endo -69.72 161.08 86.82 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.347 -0.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 HD11 ' C ' ' A' ' 23' ' ' LYS . 96.5 mt -82.02 121.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -97.04 151.48 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.76 -124.22 6.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 74' ' ' TYR . 97.0 t -106.12 134.13 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.0 ttp85 -100.72 98.54 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.3 m95 -67.96 96.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.2 t60 -91.1 124.29 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.2 t -60.35 141.04 56.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -99.48 -35.26 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 1.2 m-20 -64.07 -54.88 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.7 m -46.38 150.83 1.08 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HG2' ' CB ' ' A' ' 46' ' ' MET . 54.1 Cg_endo -69.71 169.52 18.65 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.733 2.288 . . . . 0.0 112.349 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -12.19 32.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -101.68 -23.4 14.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.914 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.6 tpt -116.59 24.52 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.8 m -57.52 130.71 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.816 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 25' ' ' ASP . 11.5 mt -103.64 164.05 11.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -141.03 127.14 19.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.21 132.38 54.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.7 p -73.45 144.81 46.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -35.14 -35.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.6 m -64.4 -46.33 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.496 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 85.0 m -93.34 22.69 5.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 59.1 p -70.72 -38.52 73.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.06 14.74 13.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.4 m -93.03 153.89 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.23 110.08 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 21.8 t60 -121.29 126.37 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -121.74 122.51 39.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.1 p -123.88 -175.6 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -40.84 -48.55 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.914 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -103.38 -53.68 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 24.5 t60 -58.61 148.45 28.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -147.51 -179.3 6.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.51 -32.78 48.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -66.76 -30.31 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -50.01 157.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -107.08 158.0 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.2 mt -121.29 148.03 44.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -115.02 114.08 43.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.455 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.3 Cg_endo -69.82 97.19 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.589 ' C ' HG13 ' A' ' 35' ' ' VAL . 73.5 mt -90.45 98.4 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.785 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 m-85 -66.26 -53.09 40.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -110.78 152.58 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.7 t -75.82 124.08 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.4 p -60.38 110.65 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.11 104.99 0.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 t -84.2 -43.62 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -81.37 131.12 35.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.474 179.994 . . . . . . . . 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 -0.351 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 p -124.26 42.19 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m -106.1 138.47 42.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.31 -127.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -133.74 136.63 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m -132.99 135.42 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.1 126.2 1.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -133.43 139.69 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.708 0.29 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -69.41 146.61 51.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.8 mmm -114.56 95.1 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -130.85 112.58 13.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.64 165.09 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -57.27 134.75 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.8 p -73.3 98.09 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.52 -66.71 1.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -144.19 158.67 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.11 132.2 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -99.62 102.36 13.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -87.27 113.42 22.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -93.9 138.11 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.17 -35.82 4.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.641 ' CZ ' ' NH2' ' A' ' 36' ' ' ARG . 84.6 m-85 -85.12 128.94 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.384 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -125.99 125.66 43.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.0 t -56.88 126.03 25.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.37 -4.89 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -88.33 -68.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.5 p -91.03 -40.61 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.04 19.66 8.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' SG ' ' A' ' 27' ' ' CYS . 5.5 tt -73.89 117.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 20.6 tt0 -150.56 133.39 8.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.0 Cg_endo -69.79 162.79 83.47 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.361 -0.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.88 129.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -107.42 135.94 48.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.94 -119.72 6.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 74' ' ' TYR . 86.7 t -108.76 130.76 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.641 ' NH2' ' CZ ' ' A' ' 22' ' ' PHE . 48.0 ttp85 -101.15 104.74 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.461 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 90.3 m95 -74.16 97.48 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.457 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.4 t60 -91.31 122.92 34.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 38.1 t -58.52 144.58 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -98.99 -38.07 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.12 -56.44 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.4 m -46.33 149.93 1.24 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -12.66 33.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -99.03 -32.1 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.96 ' HG2' HD12 ' A' ' 63' ' ' ILE . 8.2 tpt -109.13 25.39 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 m -59.46 139.44 57.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD12 ' CG ' ' A' ' 64' ' ' HIS . 52.9 mt -113.24 164.72 13.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.88 130.17 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.32 132.74 54.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.4 p -72.98 147.47 45.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -36.67 -34.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.7 m -67.23 -44.84 78.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 75.4 m -93.46 22.64 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 p -75.43 -28.25 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.13 10.34 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.06 153.23 18.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.06 113.23 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 17.3 t60 -123.57 124.92 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -118.9 118.62 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.5 p -117.65 -178.79 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -40.08 -44.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.96 HD12 ' HG2' ' A' ' 46' ' ' MET . 38.9 mt -106.57 -54.66 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 34.4 t60 -59.67 146.24 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -142.79 -175.19 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.62 -45.87 16.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -55.82 -31.99 63.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 41' ' ' ASP . 10.6 m170 -45.26 161.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -111.9 158.27 19.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.2 mt -120.97 150.11 41.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.03 113.78 39.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.461 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.7 Cg_endo -69.78 102.22 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' A' ' 38' ' ' HIS . 67.4 mt -94.85 98.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.68 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 -67.15 -48.97 66.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -119.26 151.71 37.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.8 p -72.27 141.22 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.9 t -58.04 99.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 79' ' ' PRO . . . 173.1 95.98 0.1 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 78' ' ' GLY . 53.9 Cg_endo -69.78 85.6 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t -167.92 149.24 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.7 t -110.85 95.26 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.431 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -93.33 110.61 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -84.41 -58.76 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.38 -157.91 22.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -142.78 151.12 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -87.8 161.88 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.84 165.99 12.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -109.31 97.42 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -132.42 -43.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttm -71.72 134.55 46.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 12' ' ' ALA . 18.1 pt20 -99.68 -44.03 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' GLN . . . -48.0 129.61 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.94 140.25 30.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 t -174.46 134.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.09 -92.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -121.42 169.62 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.93 144.69 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.73 99.56 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -81.85 113.42 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.2 t -96.16 132.35 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.38 -29.71 11.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 40.5 m-85 -93.68 143.68 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' C ' HD11 ' A' ' 32' ' ' ILE . 7.5 tttp -135.72 141.74 44.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 26' ' ' ASN . 48.6 t -65.98 127.66 32.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.95 10.34 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 1.9 t30 -104.92 -70.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.32 -44.21 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.08 27.25 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -78.23 118.82 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 13.9 tt0 -151.4 133.35 8.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 54.2 Cg_endo -69.68 159.04 90.1 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.401 -0.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 HD11 ' C ' ' A' ' 23' ' ' LYS . 70.8 mt -81.7 114.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.72 132.01 44.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.89 -129.01 9.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 74' ' ' TYR . 60.7 t -100.75 128.6 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.6 ttp180 -99.82 101.62 12.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.1 m95 -72.49 93.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.1 t60 -87.53 120.53 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 147.01 10.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -101.93 -40.04 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 2.4 m-20 -60.61 -54.43 45.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -46.32 151.84 0.92 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 167.31 24.88 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.93 13.01 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -107.25 -32.99 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.673 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 tpt -107.96 31.04 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 74.4 p -59.46 140.31 56.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD12 ' CG ' ' A' ' 64' ' ' HIS . 29.5 mt -109.08 165.02 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.91 127.13 19.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -125.14 132.38 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.3 p -73.11 145.29 46.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -36.09 -33.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.4 t -66.78 -45.6 77.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 51' ' ' CYS . 68.1 m -95.48 23.09 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.423 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 51.0 p -70.03 -37.77 75.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -92.13 14.8 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.16 155.44 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 66' ' ' GLU . 8.9 tp -116.29 116.02 27.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 23.0 t60 -125.99 127.08 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -117.15 118.7 33.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.8 p -120.38 -177.08 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -40.27 -50.86 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.673 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.1 mt -102.89 -51.6 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -60.0 145.95 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -142.73 -175.31 4.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -82.12 -27.23 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -72.72 -24.21 60.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.5 m170 -57.4 158.15 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -107.22 165.46 11.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.6 mt -125.98 142.99 51.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -111.17 115.45 52.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.673 0.749 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.8 Cg_endo -69.79 107.47 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 38' ' ' HIS . 59.3 mt -100.58 99.31 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' HA ' HG22 ' A' ' 35' ' ' VAL . 3.0 m-85 -68.04 -41.13 82.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 78.6 mtp180 -124.79 160.53 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.7 p -85.46 134.42 34.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 76.3 p -67.01 82.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 79' ' ' PRO . . . -172.69 102.36 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 78' ' ' GLY . 53.8 Cg_endo -69.72 -7.09 20.16 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -56.81 -60.13 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 t -92.91 86.7 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.492 179.97 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -138.36 171.83 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -55.55 100.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.03 72.94 2.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -174.51 140.99 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -102.36 -52.55 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.89 71.78 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -84.74 142.16 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.62 141.41 58.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 161.04 9.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -87.96 152.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.65 137.89 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 63.08 42.69 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -156.95 112.85 2.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 16' ' ' PHE . . . 82.69 31.8 28.9 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 26.6 m-85 -145.84 178.61 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 74' ' ' TYR . 96.9 t -98.06 145.64 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -132.09 99.8 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.89 113.59 22.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -90.4 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.03 -35.95 3.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 18.5 m-85 -86.54 133.23 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 11.4 tttt -126.6 142.26 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 53.5 t -64.21 129.01 38.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.82 22.78 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.64 -62.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.432 ' SG ' HG22 ' A' ' 29' ' ' ILE . 32.0 p -95.72 -40.83 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.0 31.91 3.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.4 tt -89.77 122.33 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 17.3 tt0 -152.21 136.98 10.62 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.6 Cg_endo -69.76 163.46 81.77 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.365 -0.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD11 ' C ' ' A' ' 23' ' ' LYS . 72.3 mt -85.38 115.93 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -102.04 143.76 31.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.84 -118.76 6.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 74' ' ' TYR . 85.9 t -112.22 124.74 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' NH1' ' CD1' ' A' ' 22' ' ' PHE . 56.1 ttp180 -95.78 105.64 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 91.1 m95 -76.01 94.89 3.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 73' ' ' ILE . 7.0 t60 -89.43 121.49 31.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 t -54.14 147.42 12.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -102.0 -40.81 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -60.1 -53.96 51.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.5 m -47.27 151.25 1.32 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -2.96 11.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.26 . . . . 0.0 112.354 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -105.91 -38.59 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.604 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.5 tpt -104.58 32.94 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 81.9 p -61.65 137.59 58.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.8 mt -106.22 164.85 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.26 121.07 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -117.89 133.05 56.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.8 p -70.83 151.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.08 -37.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -64.33 -43.21 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.0 m -98.24 24.35 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.585 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 85.0 p -71.97 -37.7 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -91.27 15.58 11.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.3 m -90.77 155.3 18.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.7 tp -116.52 114.95 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.605 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 12.2 t60 -125.4 131.27 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 65' ' ' LYS . 17.0 mt-10 -125.43 123.46 39.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 p -126.78 -174.23 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -41.15 -45.82 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.604 HD12 ' HG2' ' A' ' 46' ' ' MET . 48.5 mt -105.32 -56.34 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 32.1 t60 -58.44 145.42 38.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' C ' ' HG2' ' A' ' 60' ' ' GLU . 23.2 mmtp -140.93 -176.37 4.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 58' ' ' LEU . 12.9 pt-20 -79.78 -36.16 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.83 -34.04 77.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.7 m170 -46.2 157.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -110.14 166.07 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.1 mt -125.64 145.17 50.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 26.7 tt0 -111.9 116.33 49.82 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.753 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 53.4 Cg_endo -69.71 101.84 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 38' ' ' HIS . 74.0 mt -95.44 98.69 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.759 ' O ' HG21 ' A' ' 17' ' ' VAL . 3.2 m-85 -66.6 -50.16 63.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.504 ' HD3' HG22 ' A' ' 17' ' ' VAL . 16.1 mmt180 -118.4 170.39 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 77' ' ' SER . 12.4 t -102.53 111.65 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' SER . 25.8 p 36.84 47.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.21 -127.99 2.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.451 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.82 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -63.99 144.2 57.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 t -63.88 -44.21 93.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.497 -179.965 . . . . . . . . 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 -0.342 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -89.04 143.09 27.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -88.51 101.69 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.32 175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.3 p -94.84 157.34 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -125.82 156.55 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.5 153.45 6.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -113.24 -51.43 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 61.42 42.07 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.2 mtp -69.79 130.02 41.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.27 142.21 27.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.94 167.78 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.66 46.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -131.57 39.46 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.75 -57.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' HB3' ' N ' ' A' ' 34' ' ' GLY . 14.3 m-85 -143.81 156.56 44.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.96 125.73 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -87.57 100.03 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -87.07 113.5 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.45 139.33 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.33 -33.11 6.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -87.49 133.79 33.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HE2' ' HA2' ' A' ' 28' ' ' GLY . 2.2 tmtt? -130.81 120.51 23.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -52.73 130.88 33.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.69 -11.17 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.462 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -81.97 -68.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 29' ' ' ILE . 27.3 p -91.4 -46.85 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA2' ' HE2' ' A' ' 23' ' ' LYS . . . 116.15 20.5 5.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 29' ' ' ILE . 4.6 tt -70.61 117.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.125 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 16.5 tt0 -152.08 131.17 6.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.74 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.9 Cg_endo -69.72 160.01 88.61 Favored 'Cis proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.37 132.98 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -111.36 140.39 45.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 16' ' ' PHE . . . 97.23 -118.62 6.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' TYR . 79.0 t -114.13 127.64 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.191 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.4 ttp-105 -98.59 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CZ3' ' HD3' ' A' ' 72' ' ' PRO . 88.4 m95 -77.83 93.94 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' HB3' HD11 ' A' ' 73' ' ' ILE . 8.0 t60 -86.89 123.12 31.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.4 t -55.57 145.63 22.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.85 -37.55 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -63.36 -54.72 32.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.3 m -46.73 151.74 1.03 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.96 22.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -9.12 25.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.11 -36.07 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.72 ' HG2' HD12 ' A' ' 63' ' ' ILE . 6.3 tpt -105.96 29.97 6.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 55.0 p -57.88 140.16 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD12 ' CG ' ' A' ' 64' ' ' HIS . 16.4 mt -110.12 164.99 12.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -142.7 131.91 23.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -130.55 126.08 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' CYS . 31.2 p -67.51 148.18 51.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.6 -37.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -63.13 -43.27 98.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 51' ' ' CYS . 83.3 m -96.03 20.02 10.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.1 p -70.42 -37.26 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.52 13.36 15.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.9 154.99 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -116.55 116.21 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 19.7 t60 -125.87 131.28 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -124.7 119.37 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.2 p -120.65 -174.44 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -42.79 -48.93 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.72 HD12 ' HG2' ' A' ' 46' ' ' MET . 40.2 mt -101.49 -56.53 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 37.6 t60 -55.2 153.2 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -150.67 -178.49 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.53 -38.47 40.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.87 -34.15 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 11.8 m170 -45.36 164.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.25 165.87 12.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -127.48 147.12 50.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 7.7 tt0 -115.88 115.16 41.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 37' ' ' TRP . 53.5 Cg_endo -69.77 102.87 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 38' ' ' HIS . 64.3 mt -95.39 98.69 8.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.834 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.9 m-85 -65.5 -57.03 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -112.51 151.13 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -67.5 140.17 57.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.9 p -111.48 -44.76 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.35 -78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 97.94 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.2 m -91.39 -58.18 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.6 t -118.96 90.18 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.473 -179.996 . . . . . . . . 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 -0.32 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -80.51 44.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.11 125.73 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.23 42.14 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -45.35 158.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -126.37 176.0 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.93 88.22 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -118.75 95.4 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -127.26 102.78 7.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mpt? 60.21 43.55 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -73.59 -60.98 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 149.75 10.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -38.7 158.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.6 m 62.68 44.18 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.18 -52.24 5.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -153.26 146.0 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 75' ' ' ARG . 58.8 t -83.43 139.26 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -121.5 99.64 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.34 114.08 17.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -94.66 144.09 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.94 -35.18 4.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -87.67 131.64 34.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.933 0.397 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 16.2 tttt -123.27 141.95 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 48.8 t -64.25 130.58 44.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -92.11 23.11 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' ND2' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -121.16 -62.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' SG ' HG22 ' A' ' 29' ' ' ILE . 31.8 p -96.92 -40.42 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.51 32.54 3.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.3 tt -89.25 121.52 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 31' ' ' PRO . 21.3 tt0 -152.31 136.2 9.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 30' ' ' GLU . 53.8 Cg_endo -69.73 162.05 84.85 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.343 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.1 mt -82.63 120.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.62 137.62 42.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.65 -118.29 6.06 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 74' ' ' TYR . 90.0 t -110.65 124.64 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.3 ttp85 -95.13 103.31 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 55' ' ' SER . 91.2 m95 -74.36 97.39 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB3' HD11 ' A' ' 73' ' ' ILE . 5.7 t60 -91.97 119.19 31.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 70' ' ' LEU . 49.2 t -51.21 148.77 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -103.12 -41.13 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' HB2' ' CG ' ' A' ' 68' ' ' HIS . 0.7 OUTLIER -60.5 -52.72 64.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -49.16 151.51 2.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.97 17.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -11.17 30.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -98.64 -38.06 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.803 ' HG2' HD12 ' A' ' 63' ' ' ILE . 9.1 tpt -103.91 33.7 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 90.2 p -62.62 135.71 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.57 HD12 ' CG ' ' A' ' 64' ' ' HIS . 25.4 mt -105.02 165.43 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.08 126.69 16.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -123.56 132.11 53.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' CYS . 29.7 p -70.09 150.24 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -40.05 -32.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -68.41 -43.34 77.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' ND2' ' A' ' 26' ' ' ASN . 74.4 m -96.98 24.29 6.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 37' ' ' TRP . 58.0 p -72.01 -38.24 69.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.43 16.42 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.33 154.47 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 66' ' ' GLU . 9.5 tp -114.72 114.73 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 41.4 t60 -125.33 130.26 51.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 66' ' ' GLU . 12.2 mt-10 -122.94 123.21 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 37.2 p -126.09 -177.01 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -39.05 -48.2 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.803 HD12 ' HG2' ' A' ' 46' ' ' MET . 26.7 mt -105.11 -53.64 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 44.6 t60 -58.95 146.38 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -142.5 179.39 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 pt-20 -75.5 -39.93 57.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -60.55 -35.39 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 41' ' ' ASP . 12.0 m170 -43.68 160.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -111.18 164.96 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 39' ' ' CYS . 80.9 mt -125.88 143.48 51.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' TRP . 21.5 tt0 -109.97 115.81 54.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HB3' ' CH2' ' A' ' 37' ' ' TRP . 54.0 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 38' ' ' HIS . 73.0 mt -96.28 98.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -65.37 -50.12 66.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 22.2 mtm105 -110.97 152.7 26.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 m -62.98 130.06 43.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -125.32 80.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.29 -155.11 14.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -175.12 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t 59.59 41.0 19.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.9 m -143.47 151.88 40.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.492 179.974 . . . . . . . . 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_