data_2cq9_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 2cq9 _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 ' 15' ' ' ALA . . . . . 0.652 ' N ' HD22 ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.588 0.709 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.79 37.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -70.15 -46.43 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.652 HD22 ' N ' ' A' ' 15' ' ' ALA . 4.2 p30 -61.17 -38.83 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.63 -31.97 68.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -76.53 -47.07 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.58 -39.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.22 -36.97 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -62.64 -47.55 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 25.4 pt -68.87 -28.97 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -69.96 -48.3 58.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.67 -57.3 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -61.77 179.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 -39.37 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -147.93 119.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.8 t -120.76 129.0 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -113.34 99.62 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.36 104.51 16.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 6.7 p -138.57 170.58 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CG ' HG22 ' A' ' 81' ' ' VAL . 9.2 ptpt -118.19 -174.5 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -111.65 41.6 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.5 p -125.25 -6.33 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.76 165.17 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.3 p -91.4 -43.89 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.42 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 53.7 m-85 -48.45 -22.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 19.8 p -49.51 -37.44 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -77.07 -38.2 53.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 mmm -47.35 -57.68 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.24 -51.87 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -56.85 -48.18 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.73 -38.26 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.32 -58.04 10.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -65.98 -51.72 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -45.34 -47.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.25 -32.54 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.6 mtp -77.8 -8.69 58.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.56 32.28 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -104.27 105.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -39.63 112.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -117.89 166.22 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -134.58 105.74 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.58 154.15 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -142.11 119.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -86.05 111.48 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.63 -39.07 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -48.19 -45.23 33.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -75.96 -34.32 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.11 129.11 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -54.74 -45.2 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.75 38.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.43 -49.85 42.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -51.12 -20.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.85 -71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -54.87 -15.65 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.41 -43.76 72.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.44 -54.86 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.44 -45.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 85' ' ' PHE . 29.6 mt -67.3 -48.68 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -47.65 -26.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -84.24 -34.19 23.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 mtm -77.24 -18.1 57.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 90' ' ' PHE . 5.1 p -112.31 -36.14 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 -6.25 63.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -130.91 176.62 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -130.2 49.95 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.05 155.26 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.493 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -136.8 159.21 71.14 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 111.101 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 -179.19 18.49 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.317 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.82 113.07 13.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.15 129.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.413 ' CZ ' HD21 ' A' ' 72' ' ' LEU . 26.8 m-85 -122.4 118.46 28.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.55 121.95 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.09 40.45 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 59.44 26.12 61.51 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.3 m -134.73 124.2 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 76' ' ' THR . 62.1 t80 -69.51 75.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -51.42 -20.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.65 -170.88 26.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.93 -159.11 29.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.64 -58.06 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.078 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.39 -58.52 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 106' ' ' LEU . 87.5 m -49.25 -39.73 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.52 -44.05 92.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -62.6 -45.08 94.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 106' ' ' LEU . 29.8 mt -49.12 -61.24 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -41.59 -41.12 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -63.77 -49.9 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.58 -5.31 52.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.06 29.94 63.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -103.01 13.3 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 97' ' ' THR . 6.3 tt -118.62 -39.39 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -62.76 -43.77 84.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.1 Cg_exo -48.01 -26.73 7.97 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.67 -41.29 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.35 -29.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 107' ' ' LEU . 48.1 m170 -95.38 27.44 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.97 -45.28 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.628 0.728 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -45.79 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -48.21 -39.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 92.4 m-20 -60.18 -47.09 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -57.57 -23.4 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.5 mt -85.78 -41.41 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.12 -36.18 74.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.93 -32.74 69.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.7 m -72.24 -46.66 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.73 -34.28 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -70.07 -42.74 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -75.67 -43.86 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.22 160.62 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.33 -53.57 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.6 t -127.52 140.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.577 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 96.2 t -134.1 123.23 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.4 mt -112.13 109.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 86.5 m-85 -98.7 112.63 24.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -120.25 162.55 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CD ' HG23 ' A' ' 81' ' ' VAL . 5.5 ptmm? -122.78 31.18 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.0 p 33.69 49.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 t -133.74 -44.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 m -90.14 165.77 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 p -89.28 -35.27 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -53.83 -18.66 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.07 -40.86 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.1 t -73.92 -43.36 58.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' THR . 36.5 mtp -43.05 -49.98 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.58 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -51.61 -54.79 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.73 -44.34 81.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.25 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.32 -45.09 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -47.35 -50.46 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.85 -27.65 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 mtp -80.83 -12.12 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 65.83 38.03 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.7 t -110.38 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 68.8 m-80 -34.42 116.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -118.63 172.18 7.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -136.66 105.81 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.13 145.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 42.2 t -139.83 109.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' CD ' HD13 ' A' ' 61' ' ' LEU . 13.9 mt-10 -77.93 115.07 17.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' LEU . 83.2 mt -81.93 -53.15 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -37.58 -38.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD13 ' CD ' ' A' ' 58' ' ' GLU . 15.1 mt -81.49 -36.41 29.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' LEU . 17.2 mt -53.98 126.64 23.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.89 -43.52 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -98.68 40.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.32 -53.8 36.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -49.09 -23.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.16 -70.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -54.07 -15.71 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.66 -47.34 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -64.88 -51.35 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.22 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' MET . 30.4 mt -62.52 -54.16 44.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 79' ' ' ARG . 5.2 t80 -41.27 -34.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -79.02 -36.81 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' LEU . 14.9 mtm -83.78 -11.17 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 32.9 p -111.2 -28.53 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.56 29.92 8.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 80' ' ' THR . 3.1 tp10 -122.56 -43.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 12.7 ttp85 69.89 47.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -152.49 167.47 28.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.504 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -137.34 159.29 70.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 175.91 34.67 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -120.85 116.33 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.17 139.56 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -133.68 119.14 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.0 t -114.71 122.45 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 54.88 37.17 28.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.85 41.93 93.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.4 m -149.7 137.98 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.432 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 64.6 t80 -82.49 92.09 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -76.9 -19.67 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.22 -159.85 28.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.37 -161.64 11.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -55.17 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.36 -63.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.9 m -44.86 -41.96 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -70.51 -47.4 60.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 106' ' ' LEU . 36.5 mt -44.04 -50.46 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -57.46 -37.04 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.86 -60.22 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HB2' ' CE ' ' A' ' 105' ' ' LYS . 4.5 mm-40 -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 96.63 19.16 28.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 103' ' ' GLU . 9.9 mtmt -92.86 9.94 33.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 5.0 tt -112.41 -42.8 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.692 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.94 -29.34 11.66 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -88.68 -46.68 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.96 -41.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.692 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 31.4 m170 -64.86 -48.27 74.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.02 -35.14 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.98 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 9.8 p -46.21 -44.34 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.445 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 35.8 m-20 -54.86 -48.38 73.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -52.88 -38.8 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' THR . 41.0 mt -69.58 -53.22 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -41.6 -35.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.17 -40.19 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 87.0 m -63.06 -40.64 98.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 37.8 pt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -75.92 -44.94 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -71.52 -54.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.89 152.66 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -78.52 -33.83 47.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -155.55 124.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.539 HG12 ' CE2' ' A' ' 32' ' ' PHE . 84.2 t -116.75 130.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.74 100.22 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CE2' HG12 ' A' ' 30' ' ' VAL . 48.5 m-85 -88.57 106.69 18.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.4 m -115.34 170.82 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HD3' ' CG2' ' A' ' 81' ' ' VAL . 1.8 ptmm? -134.16 29.05 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 61' ' ' LEU . 18.9 p 34.75 47.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -123.19 -43.4 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.22 166.9 12.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.2 m -88.0 -23.08 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 9.8 m-85 -68.77 -17.48 64.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 19.2 p -58.67 -23.5 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 t -95.01 -35.34 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 39' ' ' TYR . 13.6 ptm -68.14 -30.76 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.94 77.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.3 mppt? -64.34 -50.78 66.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -49.92 -46.53 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -48.95 -59.32 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -64.13 -37.85 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -52.65 -56.16 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.17 -28.82 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 36.0 mtp -78.06 -7.19 56.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.47 27.29 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.6 t -97.45 94.71 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 49.9 t30 -35.17 114.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -117.82 171.9 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.98 105.93 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.29 135.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.408 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 39.5 t -132.56 99.9 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 38.1 mm-40 -78.13 115.06 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.69 -40.68 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 8.8 t70 -48.13 -39.78 21.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 35' ' ' THR . 1.0 OUTLIER -82.56 -24.17 34.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.11 154.94 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.68 -38.49 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -102.25 39.27 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.3 -59.64 7.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.19 -24.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -74.44 -72.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -55.84 -25.9 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.78 -40.76 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 74' ' ' LYS . 37.8 t0 -74.49 -56.74 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.45 -32.91 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.68 -41.92 62.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 t80 -52.68 -27.52 17.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -76.88 -53.35 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.1 mtm -55.54 -39.12 70.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 90' ' ' PHE . 8.0 p -89.79 -49.35 6.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 104.13 14.41 24.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -161.31 166.14 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -110.62 50.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -102.68 156.0 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.507 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -146.81 158.46 45.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 111.115 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.75 177.02 30.28 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.365 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.422 ' NH2' HG22 ' A' ' 76' ' ' THR . 12.8 mtp85 -125.43 112.05 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.55 132.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.33 120.57 28.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.34 129.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.74 35.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 69.75 47.34 48.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.4 m -155.15 126.02 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' HG21 ' A' ' 76' ' ' THR . 26.7 t80 -71.65 107.95 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.407 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -97.37 -16.46 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.0 174.96 18.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.09 -162.71 37.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.81 -35.07 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -75.89 -69.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -43.22 -55.29 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 106' ' ' LEU . 54.9 m -51.0 -41.38 59.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.513 ' CE1' ' HE3' ' A' ' 102' ' ' LYS . 2.4 t60 -62.07 -40.23 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -67.58 -53.19 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.11 -57.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.404 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 17.6 t60 -46.4 -41.65 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.513 ' HE3' ' CE1' ' A' ' 98' ' ' HIS . 28.1 mttt -67.83 -38.59 83.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.52 6.16 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 64.58 25.07 69.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -97.6 0.83 48.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 97' ' ' THR . 6.2 tt -107.06 -39.08 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -59.97 -43.84 95.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.92 -23.56 4.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.403 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.69 -44.04 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.61 -39.23 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' CYS . 41.7 m170 -74.86 -59.58 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' HIS . 7.3 mm100 -34.4 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' HIS . 15.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.537 0.684 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.31 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.66 -34.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.5 -23.41 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.0 mt -85.55 -48.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -46.65 -33.45 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -72.89 -41.39 64.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -61.95 -40.56 95.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 pt -77.31 -16.32 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -78.77 -53.6 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.56 -39.18 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -89.2 -177.9 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.55 -36.58 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG13 ' CZ ' ' A' ' 47' ' ' PHE . 87.3 t -131.93 122.35 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.524 HG13 ' CE2' ' A' ' 32' ' ' PHE . 84.7 t -123.74 110.17 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.8 mt -99.62 107.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 38.2 m-85 -97.85 109.07 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 p -118.64 167.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 35' ' ' THR . 9.9 pttt -135.03 37.26 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.474 ' C ' ' O ' ' A' ' 34' ' ' LYS . 45.4 p 30.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 t -128.31 -40.13 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.33 128.92 44.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.5 m -51.38 -40.88 60.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -46.66 -21.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -46.67 -47.03 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -71.64 -35.93 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -53.22 -42.07 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.58 -59.25 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -48.52 -44.19 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -70.83 -46.24 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.4 tp -42.92 -60.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 79.9 m-85 -63.88 -44.42 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.37 -51.53 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.65 -36.67 84.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 mtp -75.6 -7.01 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 58.73 35.67 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.8 t -104.69 101.69 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.4 t-20 -35.26 112.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.48 170.45 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -135.84 105.8 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.07 130.33 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 47.3 t -126.06 99.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 60.9 mt-10 -68.99 127.59 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.2 -46.44 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -21.05 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -91.66 -35.87 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.15 164.39 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.43 -29.97 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -109.89 33.56 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.62 -46.92 93.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -49.66 -25.78 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -79.27 -72.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -50.98 -18.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -36.87 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.04 -45.59 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.34 68.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -76.84 -49.25 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' GLY . 16.4 t80 -47.31 -27.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -77.31 -50.34 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 mtm -60.53 -24.46 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.425 HG21 ' CD2' ' A' ' 90' ' ' PHE . 11.7 p -104.49 -27.44 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 86.27 -16.93 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.02 157.06 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD ' ' A' ' 79' ' ' ARG . 2.3 ppt_? -100.91 39.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.7 p -94.08 120.7 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.499 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -114.2 159.08 37.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.73 -178.51 16.84 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.365 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -128.28 112.97 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 85' ' ' PHE . 5.3 mp -98.35 133.51 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.412 ' N ' HG22 ' A' ' 84' ' ' ILE . 41.8 m-85 -128.62 120.14 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.1 t -103.67 120.19 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 50.96 36.51 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.97 49.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.99 141.05 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.425 ' CD2' HG21 ' A' ' 76' ' ' THR . 28.4 t80 -84.4 105.35 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.406 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -94.53 -17.76 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.19 161.97 9.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.04 -169.03 30.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -41.7 -66.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -44.56 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -44.37 -64.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.7 m -40.65 -43.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -63.81 -45.32 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.67 -44.29 90.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.3 mt -47.7 -50.93 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -57.34 -41.17 79.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.93 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.86 -31.34 71.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.8 51.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -130.09 10.15 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.1 tt -109.11 -49.59 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -58.19 -43.84 98.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.6 Cg_exo -48.0 -21.37 2.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.28 -44.02 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.8 t -46.38 -41.01 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.565 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 60.4 m170 -73.71 -40.9 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -48.59 -21.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.663 ' N ' HD22 ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.97 37.29 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 14.5 p -71.35 -49.94 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.663 HD22 ' N ' ' A' ' 15' ' ' ALA . 4.1 p30 -54.72 -44.6 73.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -51.97 -34.18 41.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mt -80.39 -43.16 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 41.3 mt-30 -49.95 -39.19 39.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -41.99 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 21' ' ' GLN . 32.1 pt -60.94 -36.12 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 m -72.24 -54.28 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.0 -66.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.09 153.96 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -73.58 -56.05 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -133.74 125.97 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.537 HG13 ' CE2' ' A' ' 32' ' ' PHE . 87.7 t -116.73 125.89 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mt -115.32 115.7 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 30' ' ' VAL . 68.3 m-85 -101.49 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -120.61 149.56 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' THR . 12.5 pttt -116.33 33.69 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 57.2 p 33.61 46.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -127.67 -45.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 137.57 32.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -58.43 -39.89 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 40.6 m-85 -46.7 -22.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' THR . 10.3 p -48.7 -44.53 38.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 3.5 t -72.65 -31.05 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtp -63.33 -41.32 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -57.27 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -57.5 -53.55 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -54.22 -43.03 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 97' ' ' THR . 15.2 tp -52.69 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -49.66 -46.23 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -49.16 -40.05 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.21 -35.8 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.58 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 13.4 mtm -74.02 -7.01 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 59.87 33.99 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASN . 71.5 t -103.25 97.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -34.24 110.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -118.91 172.14 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -136.24 105.92 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.26 145.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.5 t -133.24 111.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -78.99 108.69 12.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 mt -76.29 -49.71 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -45.41 -33.08 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.48 -26.15 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.05 120.46 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.24 -35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -105.49 36.28 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.12 98.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.19 -21.23 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.9 -67.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -62.77 -44.47 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.13 -47.73 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.63 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 30.5 mt -62.38 -57.2 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -40.04 -27.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.5 mtpt -78.92 -48.11 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.6 mtm -70.92 -19.41 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 p -104.0 -31.48 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 -30.19 7.66 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -130.78 152.21 50.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -89.13 50.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.5 p -95.74 140.95 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 m -137.51 154.42 75.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.716 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.74 177.35 29.12 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.372 -0.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -127.59 114.73 17.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.402 ' CG2' HD13 ' A' ' 91' ' ' ILE . 5.3 mp -100.06 143.35 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -141.83 119.21 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.23 113.35 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 62.79 26.53 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 43.44 10.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.51 130.74 13.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -75.74 90.52 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.402 HD13 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -74.72 -17.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.73 166.03 11.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.85 -161.06 8.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -54.93 -63.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -47.39 -66.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.43 -58.56 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.449 HG23 ' CD2' ' A' ' 46' ' ' LEU . 3.5 m -46.54 -43.23 16.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -63.76 -39.65 94.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -68.21 -45.21 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.1 mt -46.72 -52.42 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.58 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 78.5 t60 -47.75 -43.96 27.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.25 -52.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.45 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 38.5 mt-10 -62.93 -11.57 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.23 27.5 59.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 10.0 mttp -111.43 18.53 19.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' CD1' HG22 ' A' ' 97' ' ' THR . 4.7 tt -121.96 -44.1 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -61.3 -43.81 91.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.96 -23.94 4.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.65 -44.53 6.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -45.51 -31.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 46.4 m170 -81.3 -52.52 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -51.71 -29.55 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.615 0.722 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 18' ' ' ASN . 14.8 p -48.36 -45.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.457 ' N ' HG12 ' A' ' 17' ' ' VAL . 60.5 m-20 -52.09 -48.67 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -54.38 -35.66 63.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.446 HG22 ' CZ ' ' A' ' 32' ' ' PHE . 30.1 mt -75.8 -43.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -58.48 -40.85 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.0 pt-20 -71.46 -40.92 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 58.6 m -57.13 -51.04 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 45.1 pt -59.19 -38.43 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.454 ' N ' HG13 ' A' ' 24' ' ' ILE . 55.0 m -68.83 -47.45 65.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.76 -62.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.49 173.81 6.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 m -93.51 -50.34 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.53 126.94 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 32' ' ' PHE . 58.7 t -123.99 111.68 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 HD13 ' CD2' ' A' ' 47' ' ' PHE . 20.7 mt -98.06 127.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 30' ' ' VAL . 70.5 m-85 -110.15 115.4 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 p -129.14 151.83 49.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' THR . 22.0 pttt -118.16 34.21 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 41.5 p 33.63 46.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.7 m -128.92 -45.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 3.9 t -94.21 129.62 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' TYR . 13.3 t -41.39 -52.93 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' CYS . 47.6 m-85 -35.49 -37.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' TYR . 28.6 p -34.09 -44.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 42' ' ' MET . 12.6 t -76.41 -44.85 34.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.418 ' N ' ' CG2' ' A' ' 41' ' ' THR . 14.5 mtp -41.32 -49.64 3.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.41 -57.31 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -52.33 -55.03 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -56.89 -46.11 82.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -49.03 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.454 ' CD2' HD13 ' A' ' 31' ' ' ILE . 73.2 m-85 -62.15 -47.9 82.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.16 -51.48 18.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.28 -35.44 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.413 ' HE1' ' ND1' ' A' ' 101' ' ' HIS . 22.8 mtp -77.68 -12.19 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 62.07 33.74 16.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' ASN . 97.0 t -102.39 101.43 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -34.83 109.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -117.19 172.08 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -134.4 105.62 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.3 142.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 62' ' ' LEU . 56.0 t -129.05 113.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' CB ' HD12 ' A' ' 61' ' ' LEU . 2.1 mp0 -81.43 101.32 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.77 -51.34 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -46.09 -47.49 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 58' ' ' GLU . 18.5 mt -71.41 -40.63 70.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 57' ' ' VAL . 13.9 mt -50.9 131.26 26.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.14 -36.18 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.14 40.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.92 61.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -48.33 -35.37 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.82 -71.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.39 -23.38 37.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.44 -46.74 87.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.3 -53.76 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.88 -52.48 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.503 HD23 ' CD2' ' A' ' 32' ' ' PHE . 31.3 mt -56.96 -45.47 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -54.21 -31.14 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -80.13 -50.36 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.924 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.9 mtm -68.2 -20.02 64.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.3 p -102.3 -38.56 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.48 8.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 174.98 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -106.48 45.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 66.8 p -95.71 165.29 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.514 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 2.5 m -164.97 155.41 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.81 -178.6 17.16 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.334 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.648 ' NH2' ' CZ ' ' A' ' 90' ' ' PHE . 24.2 mmm180 -137.87 117.59 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.91 139.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -134.76 118.02 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.0 t -108.57 133.78 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 44.7 47.75 8.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 60.52 33.85 83.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -143.36 143.34 31.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 77.8 t80 -91.04 87.67 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -23.35 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . 144.18 165.88 11.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.31 -172.94 4.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.45 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.19 -58.62 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 m -51.73 -58.68 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -64.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.1 m -42.42 -41.63 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.09 -48.22 82.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -59.17 -50.0 75.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.4 mt -42.88 -56.14 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.413 ' ND1' ' HE1' ' A' ' 50' ' ' MET . 58.6 t60 -46.37 -50.95 15.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.22 -62.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.31 -22.56 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.44 49.6 2.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -122.5 -6.01 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.442 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.1 tt -97.55 -53.63 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.69 -44.04 98.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.9 Cg_exo -47.96 -32.59 18.29 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.09 -34.66 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.79 -60.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.542 ' CE1' HD11 ' A' ' 107' ' ' LEU . 29.8 m170 -52.71 -52.37 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -41.12 -47.25 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.71 4.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.282 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.6 -38.46 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -60.49 -51.07 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -47.88 -35.13 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 23' ' ' THR . 18.3 mt -73.94 -51.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -41.72 -37.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.81 -37.67 73.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' ILE . 26.3 m -59.84 -49.44 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 pt -60.56 -32.17 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -65.13 -59.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -56.51 13.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -82.39 95.59 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -40.27 -32.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.24 128.51 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.635 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 75.7 t -134.44 118.3 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.13 101.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.635 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 58.8 m-85 -88.89 105.94 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p -110.81 167.27 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -112.78 4.22 16.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p 48.27 45.84 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -130.06 -34.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' CB ' ' HE3' ' A' ' 34' ' ' LYS . 11.9 t -113.47 159.96 18.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 m -63.75 -37.15 86.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -43.34 -37.77 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -40.51 38.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 3.4 m -81.27 -30.44 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.0 mmm -59.31 -39.6 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -66.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 3.8 pttp -59.84 -32.14 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' THR . 75.2 tttt -61.8 -38.66 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 98' ' ' HIS . 7.3 tp -67.53 -51.66 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.02 -39.99 96.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -52.44 -57.16 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.88 -33.3 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 mtp -75.87 -14.97 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 70.94 35.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.9 102.48 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -39.94 114.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 44' ' ' LYS . 35.6 p90 -117.05 171.81 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -133.62 105.78 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.44 133.03 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.4 t -122.7 115.25 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -78.67 102.83 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.97 -49.4 45.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.96 -36.86 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -76.34 -35.53 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.5 148.61 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.76 -40.53 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -101.44 38.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.84 -47.74 86.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -56.88 -17.07 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.19 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.33 -30.48 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.12 -49.48 75.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.5 -58.33 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.7 -49.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' MET . 24.9 mt -60.89 -57.11 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CD2' ' C ' ' A' ' 78' ' ' GLU . 6.8 t80 -42.09 -29.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -80.46 -37.53 31.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtm -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.5 p -95.7 -43.1 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.32 -19.64 22.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -127.89 -176.42 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.411 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -111.79 -7.03 14.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.35 167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.492 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.0 OUTLIER -167.64 159.35 9.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.122 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.77 -179.92 20.53 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.315 -0.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 79' ' ' ARG . 47.9 mtt180 -114.22 113.57 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.07 129.13 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -125.7 119.19 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.0 t -103.8 111.13 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.36 35.22 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.58 44.88 38.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -153.71 146.78 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.16 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -90.59 108.79 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.405 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.44 -19.36 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 170.87 17.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.25 -156.06 32.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.7 -70.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.92 -68.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 99.3 m -40.19 -43.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 4.6 t60 -65.61 -49.17 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -39.57 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.0 mt -53.63 -52.59 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.51 -37.7 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -59.73 -55.24 36.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -68.81 -27.06 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.57 35.65 4.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -114.68 9.85 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 7.9 tt -109.52 -48.92 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.702 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -57.22 -43.96 99.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.98 -34.58 23.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.03 -30.04 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.9 t -58.08 -57.27 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.702 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 42.7 m170 -49.4 -40.8 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.46 -28.77 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.26 5.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.57 -41.87 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -55.4 -42.56 74.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -60.41 -31.45 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.4 mt -80.71 -48.73 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -47.27 -36.71 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.27 -42.29 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 m -58.14 -51.02 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.96 -26.83 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -76.95 -57.82 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.76 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -78.54 161.73 26.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 99.9 m -83.82 -51.78 6.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.34 140.98 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' CE2' ' A' ' 32' ' ' PHE . 58.2 t -131.98 136.52 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' N ' HG11 ' A' ' 30' ' ' VAL . 99.1 mt -124.18 105.66 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.514 ' CE2' HG13 ' A' ' 30' ' ' VAL . 52.7 m-85 -91.85 107.26 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -114.24 169.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 35' ' ' THR . 17.3 pttt -131.37 28.88 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.1 p 31.43 46.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -133.02 -40.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.37 167.51 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 m -87.07 -40.44 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 21.7 m-85 -47.57 -26.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.5 p -48.87 -24.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -92.46 -35.47 13.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 8.5 ptm -59.82 -41.7 91.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.91 -56.29 5.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -55.01 -41.91 71.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -72.36 -36.56 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.85 -52.66 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.55 -46.89 68.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -47.86 -52.13 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.98 -33.99 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -75.59 -14.71 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 71.28 30.78 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASN . 84.8 t -103.82 98.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.9 t-20 -35.5 115.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -116.63 172.06 7.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 106.66 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.1 148.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -146.85 105.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.57 115.32 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 72' ' ' LEU . 86.3 mt -78.91 -43.56 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.54 -12.47 10.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.654 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.3 -40.49 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.31 161.86 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.43 -34.83 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -106.44 33.98 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.17 88.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.71 -24.29 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -82.83 -70.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.17 -20.98 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.47 -43.15 73.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.46 -45.71 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.48 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 32' ' ' PHE . 30.8 mt -66.59 -47.33 73.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -51.0 -25.08 4.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -84.19 -51.19 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.0 mtm -59.85 -19.78 53.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 p -104.01 -43.59 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.82 -22.78 31.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -128.7 159.57 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -99.57 50.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 31.1 p -98.38 174.98 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.511 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 2.7 m -167.05 155.05 8.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.4 Cg_endo -69.76 -179.43 19.15 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.348 -0.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.445 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.96 114.69 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 91' ' ' ILE . 5.4 mp -101.06 138.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -138.24 120.39 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.0 t -102.99 116.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 53.64 41.08 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.7 78.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.56 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.0 m -147.73 129.73 15.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.24 89.06 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -65.91 -25.34 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.3 13.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -68.82 169.45 42.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -36.04 -61.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -49.89 -68.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -40.68 -58.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.3 m -43.44 -53.74 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -50.24 -39.21 44.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -65.71 -43.52 88.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.6 mt -47.65 -51.29 22.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -53.77 -61.66 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -42.07 -47.67 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.99 -28.27 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.35 46.47 2.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -127.41 8.96 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 3.4 tt -101.94 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.72 -43.87 98.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.91 -29.42 11.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.66 -40.3 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.412 HG12 ' CG1' ' A' ' 52' ' ' VAL . 95.1 t -47.5 -44.11 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 51.8 m170 -65.72 -41.49 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -40.19 -37.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.612 0.72 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -41.9 3.8 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 9.6 p -52.26 -46.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 44.1 m-80 -54.09 -51.84 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -51.69 -37.35 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' THR . 34.9 mt -71.65 -54.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -39.61 -41.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.71 -38.93 92.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' ILE . 94.3 m -64.08 -48.44 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 pt -67.52 -34.98 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -60.36 -40.54 91.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.6 -63.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -73.7 158.28 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -85.38 -53.31 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG11 ' CE1' ' A' ' 47' ' ' PHE . 95.9 t -114.65 114.48 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.56 110.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.8 mt -101.19 100.24 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 59' ' ' LEU . 20.4 m-85 -87.71 116.08 25.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -122.02 152.33 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' THR . 8.8 ptpt -119.74 27.53 8.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . 62.1 p 33.57 49.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.8 m -130.07 -45.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.94 171.63 9.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -82.45 -41.95 19.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.408 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 23.5 m-85 -48.52 -21.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 13.5 p -53.42 -22.99 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 42' ' ' MET . 3.2 t -95.08 -40.05 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.454 ' N ' HG23 ' A' ' 41' ' ' THR . 10.3 ptm -56.1 -41.68 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.42 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -53.28 -49.47 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.42 -35.88 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.89 -65.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CE1' HG11 ' A' ' 29' ' ' VAL . 81.7 m-85 -64.7 -42.77 95.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -52.92 -52.39 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.15 -31.23 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.1 mtp -78.55 -10.95 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 m120 64.12 33.79 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 93.7 t -105.13 99.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 26.1 t-20 -35.38 113.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -116.9 172.14 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -131.05 105.57 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.1 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.512 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 81.7 t -134.57 105.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' CD ' HD13 ' A' ' 61' ' ' LEU . 8.5 mt-10 -73.57 100.12 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 32' ' ' PHE . 32.3 mt -71.38 -52.08 20.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.43 -48.69 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 HD13 ' CD ' ' A' ' 58' ' ' GLU . 15.6 mt -74.13 -39.23 63.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.406 HD23 ' CE1' ' A' ' 64' ' ' TYR . 17.5 mt -57.58 144.9 35.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 7.4 pt-20 -67.47 -25.2 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -108.21 35.93 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.86 -41.74 9.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.55 -12.82 48.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 64' ' ' TYR . 5.8 pt20 -95.09 -46.78 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -78.68 -14.72 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.12 -37.04 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.21 -50.75 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -39.25 65.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.72 -52.35 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -46.88 -28.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -80.4 -47.57 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 20.8 mtm -65.43 -20.22 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.433 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 11.5 p -97.88 -51.91 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.11 -14.98 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.94 173.6 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -102.04 42.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.6 p -96.84 117.61 31.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.508 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -120.26 157.85 52.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.75 179.54 21.99 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.331 -0.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -122.81 120.87 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.8 135.76 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -132.98 122.5 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.93 107.59 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 66.44 30.6 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.23 41.57 21.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -147.24 127.6 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.159 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 50.7 t80 -75.1 89.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.03 -24.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.65 159.56 9.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -71.34 173.87 42.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -35.05 -60.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 m -48.16 -64.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -47.63 -59.05 3.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.8 m -41.99 -44.02 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -59.91 -41.7 92.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -66.74 -49.48 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.1 mt -42.12 -57.06 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -47.95 -40.6 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -70.75 -52.41 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.78 -17.05 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.64 46.86 5.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -131.5 15.74 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.9 tt -116.34 -58.97 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.604 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -55.31 -43.69 99.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.1 Cg_exo -48.0 -25.28 6.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -95.81 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.08 -34.73 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 107' ' ' LEU . 56.8 m170 -93.95 39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -131.76 -39.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG2' ' CG ' ' A' ' 75' ' ' MET . 4.9 p -51.49 -36.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.05 -30.0 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.555 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 29.5 mt -81.65 -41.62 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.07 -41.44 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.8 -32.5 74.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.4 m -69.29 -51.79 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 16.3 pt -64.55 -33.93 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -66.52 -39.33 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -82.42 -59.51 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -64.93 168.17 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -89.65 -48.93 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.53 130.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 86.8 t -129.07 110.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.6 mt -98.12 112.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' A' ' 20' ' ' ILE . 29.0 m-85 -98.67 109.32 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 p -117.79 153.39 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 35' ' ' THR . 11.0 ptmt -118.0 33.01 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 34' ' ' LYS . 43.2 p 30.29 45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.438 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 33.0 t -122.89 -46.14 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.11 161.08 14.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -73.23 -28.07 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.443 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 60.2 m-85 -56.47 -15.62 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 18.2 p -55.75 -36.35 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' MET . 1.3 t -82.9 -39.2 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 30.7 mtp -48.47 -52.88 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.04 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.6 mppt? -60.13 -60.11 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -28.98 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.85 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -63.47 -46.38 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -51.23 -55.75 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.58 -30.36 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 27.7 mtp -80.76 -13.66 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.93 34.2 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.9 t -105.88 101.83 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.7 t-20 -37.71 111.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -119.0 172.19 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.91 106.2 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.48 137.26 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -128.5 101.9 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 16.5 mt-10 -69.57 131.49 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.61 -43.54 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.43 -26.4 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 35' ' ' THR . 1.2 mm? -93.91 -41.3 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 11.6 mt -45.84 172.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -80.83 -56.46 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 2.3 p90 -91.75 38.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.53 -49.19 61.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -50.81 -24.27 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.73 -67.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -55.42 -15.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -74.01 -52.29 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.88 -49.36 65.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.22 -53.03 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.87 -60.44 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -41.33 -29.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -86.27 -40.02 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.438 ' CE ' HG22 ' A' ' 20' ' ' ILE . 10.6 mtm -61.06 -29.69 69.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.558 ' HB ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -115.68 -52.52 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.8 -11.8 9.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -110.06 150.35 28.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 2.3 mtm180 -93.3 -33.2 14.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -37.35 153.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -144.96 159.2 50.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 111.128 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.74 -178.42 16.65 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.36 -0.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' NH1' ' CG1' ' A' ' 81' ' ' VAL . 6.0 mpt_? -112.11 124.38 52.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.427 HG23 ' CD1' ' A' ' 91' ' ' ILE . 4.6 mp -104.35 133.06 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 42.4 m-85 -136.33 136.6 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.25 109.06 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.5 OUTLIER 66.18 36.44 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 69.86 34.94 72.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -145.89 120.72 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 111.135 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 45.2 t80 -62.53 134.5 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.427 ' CD1' HG23 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -125.15 -13.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.55 165.84 11.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.08 -161.67 29.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -49.94 -54.74 17.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -59.91 -68.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.47 -55.71 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 99.2 m -50.54 -45.02 56.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -41.07 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 102' ' ' LYS . 68.6 ttt180 -64.35 -51.83 61.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.4 mt -40.54 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.8 t60 -51.71 -33.82 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' ARG . 51.6 mttt -76.93 -56.46 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.28 -25.41 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.27 42.09 4.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -129.21 14.07 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.401 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.8 tt -112.87 -46.15 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -65.12 -43.69 67.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 63.9 Cg_exo -47.96 -28.45 10.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.83 -43.87 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.6 t -50.47 -34.45 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.55 ' CE1' HD11 ' A' ' 107' ' ' LEU . 55.3 m170 -91.58 38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -130.32 -41.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.567 0.699 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.34 2.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.91 -40.72 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -59.4 -47.3 85.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.04 -24.73 10.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.4 mt -87.72 -43.24 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.15 -23.78 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.7 pt-20 -85.3 -39.86 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 33.8 m -63.5 -36.22 83.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.5 pt -75.49 -31.73 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -75.75 -59.33 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -51.86 -48.31 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -86.24 -176.01 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.0 -47.28 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.38 132.44 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.566 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 97.0 t -128.8 111.2 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mt -94.91 99.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 50.1 m-85 -87.5 104.57 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.3 p -140.1 172.0 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -122.25 -173.74 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.6 p -109.12 59.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -133.68 -39.68 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -95.97 160.0 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 p -79.03 -45.59 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' THR . 21.8 m-85 -45.72 -37.29 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -39.99 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.3 t -94.27 -38.65 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 10.8 ptm -54.93 -46.8 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.58 -51.84 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.61 -51.75 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -58.19 -45.73 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.01 -72.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.89 -38.18 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -48.96 -49.41 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -65.71 -28.15 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 9.9 mtm -81.58 -9.95 59.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 64.41 37.52 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.3 t -107.23 95.52 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' VAL . 69.9 m-80 -34.64 114.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -121.73 166.21 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -132.4 105.76 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.2 132.15 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.4 t -119.25 123.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -86.53 105.58 16.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.98 -18.24 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.63 -57.38 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.95 -27.37 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' GLY . 13.8 mt -59.94 108.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.7 -40.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -99.76 40.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -64.84 -51.04 55.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -53.08 -20.05 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -79.67 -70.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.52 -21.13 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.67 -41.1 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.84 -47.57 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.23 64.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.7 -50.77 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.99 -18.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -87.77 -49.28 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.18 -14.77 63.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 90' ' ' PHE . 6.3 p -107.51 -40.14 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.3 53.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -146.93 159.41 43.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -104.74 51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.523 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 54.2 p -106.78 107.56 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.488 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.0 OUTLIER -95.5 160.45 30.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.71 -177.6 14.83 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.358 -0.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -136.15 115.42 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.455 ' CG2' HD11 ' A' ' 91' ' ' ILE . 4.7 mp -98.03 138.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 89' ' ' THR . 29.8 m-85 -133.98 118.35 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 89' ' ' THR . 81.3 t -109.13 141.21 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' VAL . 34.5 t-20 35.02 47.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.18 39.61 97.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.528 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -128.44 -177.87 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.169 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 76' ' ' THR . 8.6 t80 -132.26 71.79 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -57.86 -18.92 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.63 -155.63 22.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.07 -159.31 25.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.97 -70.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.08 -68.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -44.04 -61.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 99.2 m -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.65 -51.91 67.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -59.05 -41.05 86.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.449 ' CD1' ' HB ' ' A' ' 91' ' ' ILE . 40.5 mt -50.91 -55.03 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 74.5 t60 -53.14 -42.94 66.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -55.85 -67.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.52 -23.89 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.24 38.26 5.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.54 -3.52 16.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tt -99.97 -35.26 9.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.616 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.98 -43.89 88.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.94 -26.46 7.46 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.4 -43.26 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.4 t -50.43 -37.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.616 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 30.0 m170 -70.4 -21.64 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -76.4 -13.19 60.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.581 0.705 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -43.25 2.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.63 -33.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.93 -31.9 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -75.75 -40.12 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.52 -41.87 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -72.72 -36.68 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -63.76 -54.44 35.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 46.6 pt -52.3 -33.55 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.8 t -70.9 -62.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.3 -58.16 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -77.74 151.66 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.0 t -70.21 -53.37 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -131.1 140.59 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 88.0 t -135.3 124.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.0 mt -115.64 116.9 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 65.6 m-85 -103.64 106.72 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -117.71 145.42 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' CA ' ' HB2' ' A' ' 60' ' ' ASP . 6.5 pttp -108.94 34.5 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.3 p 32.86 42.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.7 m -119.6 -47.27 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -95.22 130.71 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' CYS . 6.1 m -46.12 -50.09 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 44.5 m-85 -37.53 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' SER . 31.2 p -39.69 -41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 42' ' ' MET . 7.1 t -76.08 -38.41 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.447 ' N ' HG21 ' A' ' 41' ' ' THR . 20.1 mmm -50.24 -56.06 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.06 -62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -57.85 -40.83 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -58.78 -33.19 70.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.94 -55.63 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.12 -54.12 42.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.95 -45.24 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -65.51 -34.86 79.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 18.3 mtp -78.18 -8.02 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 62.02 35.81 15.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.8 t -105.38 103.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' VAL . 23.0 t-20 -38.01 110.45 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 44' ' ' LYS . 36.6 p90 -116.58 171.98 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -136.25 110.11 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.28 140.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.5 t -128.26 113.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.42 ' CB ' HD13 ' A' ' 61' ' ' LEU . 4.5 mp0 -79.67 99.86 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.08 -50.21 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 3.8 t70 -43.54 -47.12 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 58' ' ' GLU . 19.8 mt -70.31 -39.93 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 mt -53.42 136.89 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -57.65 -41.14 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -98.8 37.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.56 29.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -47.57 -29.65 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.95 -72.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.07 -25.46 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -61.4 -48.73 79.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.68 -57.17 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.87 -51.66 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.78 -50.7 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -47.94 -29.02 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -79.24 -44.99 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 16.4 mtm -70.41 -25.12 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.4 p -99.29 -38.84 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.6 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -123.21 153.99 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 17.4 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -64.45 158.38 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.5 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -155.01 158.56 32.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.76 -178.1 16.0 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.333 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -121.02 112.6 18.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 85' ' ' PHE . 5.2 mp -100.94 136.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 84' ' ' ILE . 15.5 m-85 -135.49 118.22 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 91' ' ' ILE . 95.0 t -99.38 121.33 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 48.59 40.33 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 69.37 36.53 78.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.5 m -144.22 126.15 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -74.52 112.83 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.43 ' CD1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -102.86 -29.26 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.0 167.1 22.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.92 -156.97 18.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -51.95 -58.49 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.2 m -58.99 -71.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.17 -61.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 106' ' ' LEU . 66.4 m -41.46 -49.0 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -56.81 -53.79 53.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -52.07 -53.55 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.0 mt -40.42 -58.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 55.3 t60 -51.6 -47.36 63.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -51.72 -64.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 53.03 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -126.34 -8.84 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 97' ' ' THR . 6.0 tt -94.73 -55.93 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.63 -44.64 95.59 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.0 Cg_exo -47.97 -33.38 20.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.216 . . . . 0.0 112.41 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -88.2 -37.82 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.402 ' O ' ' SG ' ' A' ' 113' ' ' CYS . 87.3 t -49.35 -53.63 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.573 ' CE1' HD12 ' A' ' 107' ' ' LEU . 31.8 m170 -54.01 -42.28 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.31 -55.17 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 110' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.79 7.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 18' ' ' ASN . 9.9 p -55.45 -37.63 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' HG12 ' A' ' 17' ' ' VAL . 80.9 m-20 -61.89 -46.93 87.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 26.4 mt-30 -51.57 -24.86 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mt -88.26 -35.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -61.8 -36.68 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.28 -38.37 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.9 m -64.86 -50.9 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 25' ' ' SER . 41.1 pt -57.88 -32.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 37.4 t -66.93 -59.75 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.79 -56.16 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -79.34 173.11 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.45 -56.47 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.6 t -119.9 125.02 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 32' ' ' PHE . 73.7 t -126.02 113.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.0 mt -99.79 109.68 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 30' ' ' VAL . 22.5 m-85 -92.83 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.1 p -113.19 171.92 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 35' ' ' THR . 17.8 ptmt -131.36 25.01 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 t 32.13 45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -134.95 -41.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -90.66 146.25 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -61.6 -28.22 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -64.64 -16.2 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.4 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 42' ' ' MET . 11.9 t -67.59 -29.27 68.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.452 ' N ' HG23 ' A' ' 41' ' ' THR . 15.6 mmm -53.69 -57.89 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -61.51 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -46.57 -38.2 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -71.11 -49.64 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -45.94 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -57.21 -40.13 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -51.78 -57.18 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -56.91 -33.46 66.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 mtp -77.2 -9.2 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 59.56 37.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG11 ' CG1' ' A' ' 110' ' ' VAL . 86.9 t -105.94 103.54 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' VAL . 54.1 t30 -38.16 110.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -116.7 171.06 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -129.74 105.61 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.58 141.53 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 105.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' CD ' HD21 ' A' ' 61' ' ' LEU . 17.6 mt-10 -77.06 99.91 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.05 -48.17 80.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -45.2 -37.92 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 61' ' ' LEU . 4.6 mp -72.69 -37.03 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.08 161.71 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -80.28 -42.15 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -99.66 40.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.25 -42.6 95.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.5 -19.4 24.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -84.23 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.4 m-85 -58.65 -25.97 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.46 -47.73 82.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -44.76 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.57 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.2 -27.83 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -84.24 -44.86 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.1 mtm -66.34 -22.59 66.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -101.51 -47.6 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.32 -24.04 11.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -131.76 162.69 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -96.39 51.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.1 p -108.14 117.79 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.501 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -114.93 156.92 44.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.79 -178.73 17.4 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.24 113.37 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.31 131.93 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -133.52 121.61 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.54 114.6 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 56.62 43.26 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.87 39.71 93.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.2 m -149.23 140.55 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.9 120.84 27.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.404 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -109.07 -23.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.85 166.59 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -85.7 -176.22 50.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -34.21 -61.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -53.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 99' ' ' ARG . 82.8 m-20 -46.12 -68.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.7 m -39.7 -45.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -42.38 95.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ASP . 31.4 ttt180 -67.57 -46.91 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 105' ' ' LYS . 82.1 mt -41.91 -51.45 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -54.74 -44.15 73.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -52.11 -56.59 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -67.47 -30.95 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.93 45.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' CD ' HD22 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.74 7.48 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.443 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.6 tt -102.91 -59.25 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -53.82 -44.19 97.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.7 Cg_exo -48.02 -29.67 12.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 mt -90.12 -37.3 14.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.436 ' CG1' HG11 ' A' ' 52' ' ' VAL . 74.3 t -57.82 -42.33 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.576 ' CE1' HD11 ' A' ' 107' ' ' LEU . 42.4 m170 -92.31 56.07 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -134.8 -41.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 1.9 p -42.48 -45.25 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 5.3 m-20 -58.51 -49.69 76.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 87.3 mm-40 -47.14 -32.78 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.76 -48.84 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.11 -32.77 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 19' ' ' GLN . 5.0 pt-20 -80.56 -32.72 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 82.2 m -73.56 -37.53 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 29.0 pt -76.34 -16.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m -88.34 -29.62 20.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -81.56 -60.12 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -76.77 153.89 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -59.56 -69.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.46 148.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG13 ' CE2' ' A' ' 32' ' ' PHE . 94.1 t -126.25 109.5 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -98.59 105.03 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.504 ' CG ' HD11 ' A' ' 72' ' ' LEU . 59.9 m-85 -89.36 107.02 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -120.46 152.78 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' CE ' HG23 ' A' ' 81' ' ' VAL . 3.5 pttp -120.42 28.85 7.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . 18.5 p 33.64 48.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.1 m -128.26 -45.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.41 140.2 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 m -57.98 -39.92 79.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -52.67 -24.9 9.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 p -57.72 -16.78 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.488 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 6.2 ptm -62.11 -47.0 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.12 -50.56 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -56.31 -49.12 75.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -64.83 -33.86 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.53 -64.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -64.93 -35.89 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.32 -57.04 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.5 -34.85 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.5 mtp -71.08 -13.59 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 68.45 31.83 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 110' ' ' VAL . 34.4 t -104.03 112.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -52.92 116.76 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.8 172.17 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -130.55 105.63 7.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.13 139.51 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 62' ' ' LEU . 43.7 t -130.18 103.7 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' CB ' HD13 ' A' ' 61' ' ' LEU . 13.5 mp0 -71.77 103.6 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.31 -49.6 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -47.45 -39.22 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 58' ' ' GLU . 14.1 mt -79.6 -30.15 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD12 ' CG1' ' A' ' 57' ' ' VAL . 17.5 mt -63.18 134.32 55.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.91 -35.2 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -105.01 37.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -53.2 43.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -50.35 -18.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -86.82 -64.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.81 -14.21 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -73.9 -50.02 22.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.1 -44.21 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.74 -43.34 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 32' ' ' PHE . 29.8 mt -65.79 -47.97 73.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 t80 -53.52 -22.58 8.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -82.69 -38.1 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.6 mtm -83.84 -13.99 52.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 p -117.44 -35.33 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 94.13 -20.23 48.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -104.25 163.91 12.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -128.92 26.82 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.98 154.06 17.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.495 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -134.81 159.01 73.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.177 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.78 -178.2 16.23 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' CG ' HG11 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -133.0 117.52 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -98.22 130.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -123.98 118.03 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -108.51 126.71 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 44.85 47.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.466 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 60.7 38.8 95.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -143.75 148.37 35.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -95.6 89.36 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.4 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -75.15 -17.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.21 170.45 16.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.6 -160.31 25.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.05 -62.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.64 -63.8 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.01 -63.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -41.68 -46.13 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -45.32 89.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 102' ' ' LYS . 43.9 ttt180 -67.13 -52.93 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' ARG . 94.4 mt -37.41 -51.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -58.12 -37.51 74.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.0 mmmt -61.47 -61.01 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.4 -34.39 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.1 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -122.33 15.6 10.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.2 tt -112.2 -46.38 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.648 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.29 -43.21 92.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.2 Cg_exo -47.96 -30.23 13.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.2 -46.01 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 52' ' ' VAL . 44.4 t -48.52 -27.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.648 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 17.6 m170 -101.68 30.08 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -124.14 -21.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB1' ' ND2' ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.631 0.729 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -42.19 3.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CB ' ' HB1' ' A' ' 71' ' ' ALA . 7.1 p -55.37 -29.97 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.414 ' ND2' ' HB1' ' A' ' 15' ' ' ALA . 70.2 m-80 -68.11 -49.2 62.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.96 -29.17 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.99 -44.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -48.2 -41.2 26.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.29 -42.29 59.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -58.15 -56.71 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 25' ' ' SER . 47.9 pt -48.31 -37.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.462 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.4 m -73.74 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -47.45 -63.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.95 141.96 54.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -63.84 -43.66 95.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 30' ' ' VAL . 66.4 t -142.36 139.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 ' N ' HG11 ' A' ' 29' ' ' VAL . 93.6 t -131.57 130.5 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -117.36 114.64 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -99.08 105.57 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.1 p -115.78 157.5 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' THR . 3.1 ptmm? -124.34 29.1 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LYS . 58.9 p 35.19 51.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -132.07 -45.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 t -98.63 125.78 44.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -47.0 -36.29 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' MET . 9.9 m-85 -44.09 -43.43 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 60.2 m -45.52 -36.9 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 m -70.86 -30.32 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.4 mmm -68.15 -54.56 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.01 62.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.22 -55.79 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -56.75 -40.08 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.16 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -57.95 -49.25 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -47.7 -51.71 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.26 -37.82 81.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 mtp -73.21 -18.87 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 71.92 31.54 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ASN . 99.2 t -100.5 102.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' VAL . 18.5 t-20 -34.58 107.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -116.51 171.95 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HE3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -139.03 108.48 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.4 p -100.27 139.14 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HE3' ' A' ' 55' ' ' LYS . 44.0 t -127.42 114.94 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' CD ' HD12 ' A' ' 61' ' ' LEU . 7.5 mt-10 -80.01 102.85 9.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.3 mt -73.04 -54.26 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.93 -40.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 ' CD ' ' A' ' 58' ' ' GLU . 14.8 mt -80.66 -41.49 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 11.8 mt -47.98 125.72 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.46 -37.88 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CZ ' HD23 ' A' ' 62' ' ' LEU . 6.1 p90 -102.55 39.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -55.58 27.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -49.98 -25.13 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.85 -71.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.4 -29.41 48.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.73 -50.57 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -63.78 -50.21 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 17' ' ' VAL . . . -41.31 -53.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.16 -42.52 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.25 -26.72 63.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.14 -41.75 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtm -72.1 -31.5 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -93.79 -43.28 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.51 -27.09 14.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.61 -175.24 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -134.81 44.93 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.721 ' N ' HH12 ' A' ' 83' ' ' ARG . 50.8 p -90.97 110.11 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.9 m -99.8 152.65 37.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.72 -176.24 12.23 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.351 -0.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.721 HH12 ' N ' ' A' ' 80' ' ' THR . 13.8 mtp85 -129.77 111.66 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 91' ' ' ILE . 5.2 mp -98.36 132.14 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.23 117.99 23.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.458 HG23 ' CD1' ' A' ' 91' ' ' ILE . 91.7 t -105.35 111.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 55.51 44.44 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.76 40.87 97.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 m -149.01 136.71 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -80.73 120.66 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.458 ' CD1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -111.52 -24.47 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 154.52 -176.84 32.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.76 -154.67 27.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.21 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -54.24 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -40.75 -62.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.454 ' CG2' HD12 ' A' ' 106' ' ' LEU . 53.7 m -45.78 -42.66 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.86 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -40.17 74.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.5 mt -53.81 -53.57 50.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -50.25 -45.33 54.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -55.57 -64.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -60.0 -27.11 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.84 51.86 1.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -128.62 -1.76 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.479 ' C ' ' CD2' ' A' ' 106' ' ' LEU . 3.6 tt -101.16 -54.93 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.9 tm? -57.54 -42.54 96.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -47.95 -25.75 6.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.83 -39.84 10.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.82 -54.11 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 107' ' ' LEU . 18.8 m170 -51.13 -50.81 58.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -44.04 -49.05 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.563 0.696 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 18' ' ' ASN . 9.2 p -38.29 -42.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.42 ' N ' HG12 ' A' ' 17' ' ' VAL . 71.5 m-80 -60.3 -49.84 76.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -51.88 -23.66 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.9 mt -85.95 -45.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.49 -35.3 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.21 -34.05 63.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.5 m -73.62 -49.19 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.461 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 50.8 pt -64.02 -24.89 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -71.83 -40.72 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.28 -53.9 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -69.23 147.3 51.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -75.64 -47.47 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.11 125.35 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 76.3 t -113.44 109.94 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.61 104.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 43.6 m-85 -94.24 110.76 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -112.58 165.56 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -133.39 31.08 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.2 p 32.4 44.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -123.8 -46.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.2 165.83 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -86.71 -32.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 21.3 m-85 -55.29 -17.67 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.4 p -55.67 -25.64 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 t -91.57 -37.15 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 8.2 ptm -61.04 -41.76 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -68.62 -59.3 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.053 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 58.9 mttt -52.89 -36.99 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.44 -37.13 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 tp -52.18 -54.15 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -68.12 -36.73 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -54.66 -55.13 32.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.33 -28.46 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 mtp -80.03 -11.21 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 63.59 38.52 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -110.6 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.0 m-20 -34.56 116.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -120.09 171.31 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG2' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -96.87 130.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 38.8 t -130.77 99.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 5.9 mt-10 -74.19 111.04 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.8 mt -77.48 -45.68 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 12.9 t70 -39.07 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 58' ' ' GLU . 1.2 mm? -93.2 -46.89 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' A' ' 57' ' ' VAL . 23.8 mt -48.3 153.82 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.57 ' CG ' ' CE1' ' A' ' 64' ' ' TYR . 13.2 pt-20 -77.99 -26.84 48.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CE1' ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.15 19.41 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.88 4.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.08 -24.74 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -79.47 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.56 -24.55 47.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -61.75 -49.94 74.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.419 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 33.4 t0 -70.16 -47.03 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD13 ' CD2' ' A' ' 32' ' ' PHE . 29.7 mt -65.13 -53.45 45.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -46.72 -21.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 70' ' ' ASP . 18.0 mttm -85.52 -45.09 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.1 mtm -69.62 -15.69 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 p -114.83 -39.96 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.38 57.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -108.64 158.07 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 48.2 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.429 ' HG1' ' N ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.36 149.68 30.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.1 m -133.15 154.92 81.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.78 178.76 24.41 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -128.32 117.0 20.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.431 ' CG2' HD12 ' A' ' 91' ' ' ILE . 5.2 mp -97.89 128.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 20.0 m-85 -121.56 117.92 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.2 t -111.78 108.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t30 59.95 44.61 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 62.8 43.87 98.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.1 m -148.03 143.13 27.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -90.06 79.39 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -62.05 -16.1 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.49 11.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.46 -155.32 5.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.52 -61.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.4 m -45.36 -47.28 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.59 -44.18 89.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.94 -42.85 90.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -49.16 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.404 ' N ' ' HB2' ' A' ' 106' ' ' LEU . 1.9 t60 -39.94 -59.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -43.29 -63.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 5.1 mm-40 -65.21 -15.85 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.18 43.62 5.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 1.8 mttp -126.17 23.42 7.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.3 tt -110.36 -56.18 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.694 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.99 -43.61 99.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.932 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -48.02 -34.4 23.01 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.48 -45.77 13.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -42.81 -55.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.694 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 39.2 m170 -50.1 -48.04 53.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.25 -16.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.571 0.701 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.73 -41.99 3.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 18' ' ' ASN . 14.3 p -52.61 -42.48 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.43 ' N ' HG11 ' A' ' 17' ' ' VAL . 64.1 m-80 -54.32 -43.36 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -59.53 -35.0 73.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -45.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.32 -35.47 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.17 -32.35 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 m -66.02 -42.02 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 pt -66.33 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 p -61.42 -49.88 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.83 -60.86 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -66.66 154.2 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.2 m -81.1 -44.08 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.4 125.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 32' ' ' PHE . 60.6 t -118.94 122.98 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 mt -113.13 113.94 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 30' ' ' VAL . 61.8 m-85 -98.84 110.83 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 p -113.91 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 35' ' ' THR . 12.4 ptmt -135.04 36.25 3.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 34' ' ' LYS . 82.3 p 28.25 47.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -135.0 -43.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.97 126.73 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.4 m -44.22 -52.76 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' MET . 25.7 m-85 -41.77 -37.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' TYR . 91.2 m -36.3 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' TYR . 3.1 t -86.49 -39.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.9 ptm -52.19 -43.12 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -57.76 -51.84 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.09 -54.44 45.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -54.27 -45.94 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -48.08 -71.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -54.64 -49.5 70.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.19 -44.31 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -67.92 -33.96 75.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 26.9 mtm -79.16 -7.84 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.14 32.91 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.6 t -103.65 99.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 29.0 t-20 -34.93 113.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.41 170.68 8.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -133.28 105.24 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.95 136.28 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.4 t -130.91 99.99 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.8 mp0 -74.19 127.42 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.66 -45.63 8.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.84 -17.83 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -98.38 -32.21 11.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.3 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.28 -37.26 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -104.43 36.69 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.24 -47.35 55.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -52.74 -32.78 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.96 -70.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.76 -19.46 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.29 -45.97 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' OD2' ' CE ' ' A' ' 74' ' ' LYS . 31.4 t0 -66.68 -52.38 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.14 -60.2 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' CG ' ' A' ' 32' ' ' PHE . 36.8 mt -44.16 -53.19 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CD1' ' CG ' ' A' ' 79' ' ' ARG . 3.3 t80 -47.97 -53.84 14.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 17.0 mttm -58.76 -16.33 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.0 mtm -93.82 -35.79 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.0 p -94.15 -61.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.14 10.7 51.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -121.54 -42.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' CG ' ' CD1' ' A' ' 73' ' ' TYR . 10.5 mtm180 70.21 46.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.9 p -119.37 114.6 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.0 m -97.16 152.27 38.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.2 Cg_endo -69.74 -179.61 19.61 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.297 -0.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -136.76 115.03 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.24 139.68 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -134.54 118.27 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.414 HG11 ' CB ' ' A' ' 109' ' ' LEU . 93.4 t -108.08 124.25 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 49.88 32.06 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.98 41.66 39.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.8 m -149.87 133.38 16.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -77.82 87.81 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -23.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.23 155.14 7.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.96 -173.1 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 82' ' ' PRO . . . -49.71 -59.1 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.7 m -56.97 -52.37 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.87 -65.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.2 m -40.0 -46.53 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -56.41 -46.41 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -62.8 -48.84 77.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -43.49 -56.05 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 84.4 t60 -48.16 -47.64 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -65.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.88 -27.41 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.01 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -127.2 2.96 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 3.8 tt -102.29 -55.56 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.5 tm? -56.4 -42.97 98.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.3 Cg_exo -48.01 -30.3 13.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CB ' HG11 ' A' ' 86' ' ' VAL . 7.5 mt -91.84 -30.79 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.91 -47.41 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 107' ' ' LEU . 25.2 m170 -61.16 -40.9 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.99 -34.26 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.527 0.679 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -41.03 4.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.35 -38.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -59.82 -41.9 92.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -58.13 -34.49 70.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.43 -44.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -56.42 -40.74 75.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.67 -38.19 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -63.76 -51.61 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 pt -57.62 -32.92 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -71.62 -56.58 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -57.38 -59.45 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -60.59 165.86 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' C ' HG21 ' A' ' 29' ' ' VAL . 5.2 t -97.64 -31.87 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.423 HG21 ' C ' ' A' ' 28' ' ' CYS . 94.8 t -152.52 122.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -122.67 126.89 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.91 107.02 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.49 104.46 17.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 24.2 p -118.89 153.87 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 81' ' ' VAL . 5.3 ptmt -116.14 137.97 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.0 p -61.57 -32.89 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -31.3 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.52 164.07 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' CYS . 3.5 m -94.48 -44.0 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -41.0 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 33' ' ' SER . 29.4 p -46.99 -39.35 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 t -74.9 -41.86 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.1 mmm -43.58 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.0 -44.19 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.9 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.97 -43.56 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 98' ' ' HIS . 50.2 tp -54.46 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.97 -56.32 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -43.14 -45.91 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.17 -35.11 78.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.408 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -76.34 -13.93 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 t30 69.43 29.42 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -96.85 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -38.99 109.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -122.72 172.17 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 111.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.46 139.62 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.8 t -127.98 106.89 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' CB ' HD13 ' A' ' 61' ' ' LEU . 16.5 mp0 -71.98 101.22 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.01 -48.61 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.89 -36.47 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 58' ' ' GLU . 81.2 mt -79.29 -42.69 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.07 117.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -44.32 -41.98 6.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -98.55 36.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.04 38.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -28.5 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -71.51 -71.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.46 -25.06 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -64.05 -43.21 96.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -68.38 -53.2 25.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 -48.76 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.5 mt -65.58 -37.77 87.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' GLY . 21.7 t80 -61.09 -29.56 69.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -80.04 -41.41 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.9 mtm -75.48 -23.62 56.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.402 ' CG2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 p -103.25 -35.68 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 100.97 -29.21 13.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.02 171.03 10.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -112.42 46.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.9 p -89.16 152.71 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 23.6 m -153.86 153.61 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.1 Cg_endo -69.76 -178.56 16.98 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 1.2 mtp-105 -139.61 124.12 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.9 142.9 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.35 117.84 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.2 t -110.4 128.25 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 49.45 41.28 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.12 41.66 99.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -150.85 144.15 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.174 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -84.37 126.16 32.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.56 -29.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.01 168.15 29.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.25 -161.54 32.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.7 43.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -68.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.97 -58.36 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.452 ' CG2' HD12 ' A' ' 106' ' ' LEU . 98.8 m -46.59 -41.67 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 1.7 t60 -62.44 -40.54 96.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -71.73 -42.21 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 mt -49.71 -51.59 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.0 t60 -50.06 -44.52 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.21 -53.2 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.75 -29.17 66.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.05 40.57 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -126.22 12.58 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 97' ' ' THR . 8.5 tt -108.94 -54.95 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.97 -44.49 96.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.96 -27.22 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt -95.15 -28.43 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' A' ' 106' ' ' LEU . 58.1 t -67.65 -33.24 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 39.9 m170 -85.06 24.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -116.14 -61.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.649 0.738 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -40.09 5.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 4.4 p -49.09 -40.94 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.425 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 73.9 m-20 -59.37 -43.35 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -56.74 -33.85 66.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.32 -51.78 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -43.65 -34.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.03 -41.01 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -61.16 -43.8 98.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.51 -33.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -72.09 -50.33 29.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.35 -54.97 21.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.1 -178.92 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -105.87 -48.66 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.0 t -132.8 113.84 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 32' ' ' PHE . 96.0 t -110.94 117.3 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.1 mt -105.64 99.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.7 m-85 -90.54 104.26 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 9.7 p -128.44 173.93 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HD3' ' CG2' ' A' ' 81' ' ' VAL . 1.2 ptmm? -123.8 -174.68 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 61' ' ' LEU . 40.0 p -115.75 48.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 4.8 m -127.8 -28.15 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.51 169.58 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -91.58 -30.76 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.423 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 76.4 m-85 -56.03 -14.54 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.04 -46.61 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -71.3 -27.65 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.3 mmm -57.47 -54.01 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -60.58 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -52.74 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -58.09 -47.04 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.65 -64.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.68 -44.32 85.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -51.95 -47.78 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -63.11 -36.37 83.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.29 -15.79 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.77 32.46 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -103.54 106.23 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.4 m-20 -36.47 113.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -123.61 165.88 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -131.47 105.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.38 144.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 88.5 t -137.89 106.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -76.32 104.91 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.3 mt -70.69 -33.14 70.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.9 -45.36 94.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 35' ' ' THR . 3.3 mp -68.31 -32.77 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 154.29 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.16 -53.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -88.47 28.37 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.2 -48.23 47.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -52.68 -20.42 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -80.41 -70.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -55.76 -24.2 33.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.22 -38.98 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' CG ' ' HE3' ' A' ' 74' ' ' LYS . 17.6 t0 -69.86 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.87 -48.49 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 83' ' ' ARG . 26.4 mt -62.16 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.6 t80 -53.2 -29.47 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HE3' ' CG ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -77.43 -49.23 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.8 mtm -51.3 -20.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 77' ' ' GLY . 8.4 p -112.16 -60.26 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' N ' ' OG1' ' A' ' 76' ' ' THR . . . 122.76 8.38 6.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -156.21 160.54 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.62 52.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -100.6 140.69 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.494 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -135.55 159.68 70.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.154 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 10.4 mtp-105 -127.29 112.94 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.38 132.03 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.46 118.17 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.59 108.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.05 30.83 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.67 35.18 29.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.9 m -137.49 138.71 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -87.43 73.78 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.57 -9.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.86 -173.76 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.59 -160.8 28.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -58.37 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -54.46 -65.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.9 -61.43 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 98.0 m -47.22 -40.62 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.74 -41.74 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -65.55 -41.15 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.1 mt -50.07 -59.32 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -45.93 -42.92 13.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -62.02 -61.17 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.79 -22.22 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.58 46.0 3.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -127.51 10.27 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 106' ' ' LEU . 2.9 tt -110.37 -52.06 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.0 OUTLIER -58.83 -43.33 97.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.3 Cg_exo -47.93 -20.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.98 -49.48 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -43.54 -37.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 30.5 m170 -86.16 39.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -132.78 -33.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.603 0.716 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.8 -45.43 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 3.3 p -49.65 -43.0 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.6 m-80 -61.63 -39.79 92.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -61.19 -23.15 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.51 -37.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.85 -32.28 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.0 -37.56 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.3 m -64.02 -51.27 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -59.71 -23.39 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.5 t -78.31 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.07 -55.92 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -72.85 142.81 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.11 -56.24 9.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -124.85 131.84 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.563 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 72.9 t -127.45 110.51 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -96.54 137.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 62.7 m-85 -127.21 111.59 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 1.8 t -121.16 172.56 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -126.24 12.05 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p 49.27 34.56 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -115.86 -41.87 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.18 164.18 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -80.99 -30.94 34.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -49.26 -32.42 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.6 p -56.78 -35.73 69.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -73.21 -20.8 60.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mmm -76.65 -56.32 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.28 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -50.57 -62.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.0 mptt -49.09 -53.06 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.97 -67.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -59.33 -42.79 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -48.02 -54.21 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.66 -29.65 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.6 mtp -78.07 -7.0 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 m120 56.51 34.9 25.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.4 t -104.01 101.32 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.5 m120 -38.35 109.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -117.15 172.04 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -131.77 105.69 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.45 143.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 20.6 t -135.93 119.9 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' CB ' HD23 ' A' ' 61' ' ' LEU . 3.9 mp0 -90.53 104.99 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.02 -46.23 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -51.03 -44.61 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -70.53 -40.36 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.6 160.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.78 -44.67 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -98.73 30.89 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.7 -54.75 10.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -45.1 -26.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -78.02 -70.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.37 -14.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -74.27 -45.54 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -75.08 -46.09 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.12 -47.42 23.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.19 -50.41 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 3.7 t80 -44.43 -31.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -74.8 -45.48 43.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 mtm -75.58 -14.16 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 p -107.02 -25.03 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 70.91 21.87 78.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.96 -178.22 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -128.67 40.92 3.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -97.91 112.33 24.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.507 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -108.54 158.82 32.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 179.86 21.16 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.363 -0.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.36 112.1 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.45 ' CG2' HD13 ' A' ' 91' ' ' ILE . 5.3 mp -103.88 130.86 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.83 119.7 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.07 106.82 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 67.61 32.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.81 33.26 51.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -139.69 146.15 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -89.15 85.78 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.45 HD13 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.27 -19.5 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.88 176.83 18.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.37 -151.4 24.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.79 -65.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -50.46 -70.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -38.54 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 m -41.88 -46.45 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.1 -39.42 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -66.37 -33.71 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 89.7 mt -56.5 -58.84 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -43.06 -46.98 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -59.55 -46.22 89.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.4 -18.06 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.69 49.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.412 ' HD3' ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -109.67 30.35 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.61 -42.15 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.614 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -69.73 -43.93 22.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.95 -18.25 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.6 -44.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.08 -29.53 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 107' ' ' LEU . 34.5 m170 -89.69 22.38 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -124.49 -29.53 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -141.68 128.46 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -114.84 162.02 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.05 166.56 14.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p 38.78 42.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -124.17 164.34 19.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.1 38.01 4.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -168.28 116.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.59 141.55 50.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' OE1' ' CD1' ' A' ' 12' ' ' LEU . 2.5 pp20? -49.45 146.25 4.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -93.65 129.7 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' CD1' ' OE1' ' A' ' 10' ' ' GLU . 7.1 mt -153.18 158.79 42.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 21.76 16.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.5 m -123.42 46.65 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' N ' HD22 ' A' ' 18' ' ' ASN . . . -48.04 152.51 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.79 37.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -70.15 -46.43 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.652 HD22 ' N ' ' A' ' 15' ' ' ALA . 4.2 p30 -61.17 -38.83 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.63 -31.97 68.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mt -76.53 -47.07 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.58 -39.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.22 -36.97 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -62.64 -47.55 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 25.4 pt -68.87 -28.97 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -69.96 -48.3 58.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.67 -57.3 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -61.77 179.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 -39.37 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -147.93 119.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.8 t -120.76 129.0 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -113.34 99.62 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.36 104.51 16.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 6.7 p -138.57 170.58 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CG ' HG22 ' A' ' 81' ' ' VAL . 9.2 ptpt -118.19 -174.5 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -111.65 41.6 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.5 p -125.25 -6.33 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.76 165.17 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.3 p -91.4 -43.89 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.42 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 53.7 m-85 -48.45 -22.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 19.8 p -49.51 -37.44 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -77.07 -38.2 53.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 mmm -47.35 -57.68 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.24 -51.87 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -56.85 -48.18 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.73 -38.26 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.32 -58.04 10.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -65.98 -51.72 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -45.34 -47.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.25 -32.54 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.6 mtp -77.8 -8.69 58.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.56 32.28 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -104.27 105.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -39.63 112.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -117.89 166.22 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -134.58 105.74 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -98.58 154.15 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -142.11 119.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -86.05 111.48 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.63 -39.07 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -48.19 -45.23 33.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -75.96 -34.32 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.11 129.11 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -54.74 -45.2 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.75 38.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.43 -49.85 42.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -51.12 -20.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.85 -71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -54.87 -15.65 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.41 -43.76 72.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.44 -54.86 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.44 -45.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 85' ' ' PHE . 29.6 mt -67.3 -48.68 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -47.65 -26.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -84.24 -34.19 23.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 mtm -77.24 -18.1 57.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 90' ' ' PHE . 5.1 p -112.31 -36.14 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 -6.25 63.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -130.91 176.62 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -130.2 49.95 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.05 155.26 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.493 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -136.8 159.21 71.14 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 111.101 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 -179.19 18.49 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.317 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.82 113.07 13.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.15 129.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.413 ' CZ ' HD21 ' A' ' 72' ' ' LEU . 26.8 m-85 -122.4 118.46 28.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.55 121.95 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.09 40.45 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 59.44 26.12 61.51 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.3 m -134.73 124.2 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 76' ' ' THR . 62.1 t80 -69.51 75.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -51.42 -20.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.65 -170.88 26.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.93 -159.11 29.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.64 -58.06 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.078 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.39 -58.52 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 106' ' ' LEU . 87.5 m -49.25 -39.73 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.52 -44.05 92.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -62.6 -45.08 94.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CB ' ' HB2' ' A' ' 106' ' ' LEU . 29.8 mt -49.12 -61.24 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -41.59 -41.12 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -63.77 -49.9 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.58 -5.31 52.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.06 29.94 63.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -103.01 13.3 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 97' ' ' THR . 6.3 tt -118.62 -39.39 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -62.76 -43.77 84.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.1 Cg_exo -48.01 -26.73 7.97 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.67 -41.29 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.35 -29.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 107' ' ' LEU . 48.1 m170 -95.38 27.44 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.97 -45.28 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.21 -49.75 16.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -77.67 -37.26 50.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.31 148.99 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt 68.37 46.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' SER . 1.7 mmmp? -122.55 -50.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' LYS . 1.8 t -36.64 141.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -50.95 126.83 17.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -154.63 164.67 38.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 83.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.34 137.02 16.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 123' ' ' PHE . 51.0 p90 -88.79 124.99 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -120.89 143.88 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.6 p -66.88 116.77 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -139.22 146.73 18.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.98 64.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.685 2.256 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.4 t -169.74 138.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -127.2 -60.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 67.67 42.11 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -118.41 153.85 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.83 46.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -121.35 147.54 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -118.32 121.1 39.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.34 114.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.1 p -108.44 81.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.962 0.411 . . . . 0.0 110.826 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -109.51 137.05 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.25 96.69 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -119.13 165.48 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.19 79.66 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.25 21.89 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m 39.51 51.64 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.45 163.64 3.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 111.068 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -45.79 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -48.21 -39.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 92.4 m-20 -60.18 -47.09 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -57.57 -23.4 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.5 mt -85.78 -41.41 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.12 -36.18 74.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.93 -32.74 69.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.7 m -72.24 -46.66 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.8 pt -68.73 -34.28 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -70.07 -42.74 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -75.67 -43.86 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.22 160.62 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.33 -53.57 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.6 t -127.52 140.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.577 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 96.2 t -134.1 123.23 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.4 mt -112.13 109.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 86.5 m-85 -98.7 112.63 24.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -120.25 162.55 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CD ' HG23 ' A' ' 81' ' ' VAL . 5.5 ptmm? -122.78 31.18 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.0 p 33.69 49.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 t -133.74 -44.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 m -90.14 165.77 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 p -89.28 -35.27 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -53.83 -18.66 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.2 p -52.07 -40.86 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.1 t -73.92 -43.36 58.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' THR . 36.5 mtp -43.05 -49.98 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.58 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -51.61 -54.79 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.73 -44.34 81.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.25 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.32 -45.09 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -47.35 -50.46 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.85 -27.65 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 mtp -80.83 -12.12 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 65.83 38.03 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.7 t -110.38 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 68.8 m-80 -34.42 116.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -118.63 172.18 7.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -136.66 105.81 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.13 145.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 42.2 t -139.83 109.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' CD ' HD13 ' A' ' 61' ' ' LEU . 13.9 mt-10 -77.93 115.07 17.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' LEU . 83.2 mt -81.93 -53.15 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -37.58 -38.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD13 ' CD ' ' A' ' 58' ' ' GLU . 15.1 mt -81.49 -36.41 29.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 59' ' ' LEU . 17.2 mt -53.98 126.64 23.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.89 -43.52 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -98.68 40.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.32 -53.8 36.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -49.09 -23.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.16 -70.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -54.07 -15.71 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.66 -47.34 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -64.88 -51.35 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.22 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' MET . 30.4 mt -62.52 -54.16 44.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 79' ' ' ARG . 5.2 t80 -41.27 -34.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -79.02 -36.81 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' LEU . 14.9 mtm -83.78 -11.17 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 32.9 p -111.2 -28.53 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.56 29.92 8.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 80' ' ' THR . 3.1 tp10 -122.56 -43.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 12.7 ttp85 69.89 47.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -152.49 167.47 28.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.504 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -137.34 159.29 70.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 175.91 34.67 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -120.85 116.33 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.17 139.56 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -133.68 119.14 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.0 t -114.71 122.45 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 54.88 37.17 28.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.85 41.93 93.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.4 m -149.7 137.98 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.432 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 64.6 t80 -82.49 92.09 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -76.9 -19.67 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.22 -159.85 28.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.37 -161.64 11.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -55.17 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.36 -63.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.9 m -44.86 -41.96 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -70.51 -47.4 60.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 106' ' ' LEU . 36.5 mt -44.04 -50.46 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -57.46 -37.04 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.86 -60.22 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HB2' ' CE ' ' A' ' 105' ' ' LYS . 4.5 mm-40 -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 96.63 19.16 28.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 103' ' ' GLU . 9.9 mtmt -92.86 9.94 33.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 100' ' ' LEU . 5.0 tt -112.41 -42.8 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.692 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.94 -29.34 11.66 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -88.68 -46.68 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.96 -41.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.692 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 31.4 m170 -64.86 -48.27 74.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.02 -35.14 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.47 -54.07 50.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.558 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 3.8 p90 -111.93 34.3 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -60.57 118.71 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -53.99 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -57.75 122.23 12.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.1 t -137.12 135.4 37.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -94.12 142.45 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -134.64 177.9 7.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -168.71 126.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.42 142.74 49.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.21 149.65 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.444 ' C ' ' CD ' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -92.91 119.51 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.1 p -105.28 114.36 28.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.69 169.65 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.08 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.4 p -92.71 169.19 10.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.7 t -113.63 83.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -133.03 -59.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -63.65 121.35 13.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.94 -120.54 5.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t 61.89 42.35 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -88.95 82.82 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.21 -157.12 10.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m -64.71 165.78 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.33 150.61 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.89 -45.65 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -125.12 167.07 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.6 131.62 46.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.78 21.89 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 m 39.85 37.64 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.84 165.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -47.98 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 9.8 p -46.21 -44.34 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.445 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 35.8 m-20 -54.86 -48.38 73.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -52.88 -38.8 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' THR . 41.0 mt -69.58 -53.22 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -41.6 -35.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.17 -40.19 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 87.0 m -63.06 -40.64 98.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 37.8 pt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -75.92 -44.94 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -71.52 -54.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.89 152.66 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -78.52 -33.83 47.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -155.55 124.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG12 ' CE2' ' A' ' 32' ' ' PHE . 84.2 t -116.75 130.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.74 100.22 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CE2' HG12 ' A' ' 30' ' ' VAL . 48.5 m-85 -88.57 106.69 18.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.4 m -115.34 170.82 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HD3' ' CG2' ' A' ' 81' ' ' VAL . 1.8 ptmm? -134.16 29.05 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.465 ' CG2' HD22 ' A' ' 61' ' ' LEU . 18.9 p 34.75 47.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -123.19 -43.4 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.22 166.9 12.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.2 m -88.0 -23.08 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 9.8 m-85 -68.77 -17.48 64.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 19.2 p -58.67 -23.5 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 t -95.01 -35.34 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 39' ' ' TYR . 13.6 ptm -68.14 -30.76 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.94 77.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.3 mppt? -64.34 -50.78 66.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -49.92 -46.53 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -48.95 -59.32 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -64.13 -37.85 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -52.65 -56.16 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.17 -28.82 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 36.0 mtp -78.06 -7.19 56.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.47 27.29 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.6 t -97.45 94.71 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 49.9 t30 -35.17 114.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -117.82 171.9 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.98 105.93 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.29 135.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 39.5 t -132.56 99.9 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 38.1 mm-40 -78.13 115.06 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.0 mt -79.69 -40.68 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 8.8 t70 -48.13 -39.78 21.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 35' ' ' THR . 1.0 OUTLIER -82.56 -24.17 34.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.4 mt -67.11 154.94 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.68 -38.49 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -102.25 39.27 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.3 -59.64 7.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.19 -24.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -74.44 -72.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -55.84 -25.9 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.78 -40.76 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 74' ' ' LYS . 37.8 t0 -74.49 -56.74 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.45 -32.91 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.68 -41.92 62.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 t80 -52.68 -27.52 17.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -76.88 -53.35 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.1 mtm -55.54 -39.12 70.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 90' ' ' PHE . 8.0 p -89.79 -49.35 6.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 104.13 14.41 24.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -161.31 166.14 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -110.62 50.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -102.68 156.0 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.507 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -146.81 158.46 45.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 111.115 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.75 177.02 30.28 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.365 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.422 ' NH2' HG22 ' A' ' 76' ' ' THR . 12.8 mtp85 -125.43 112.05 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.55 132.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.33 120.57 28.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.34 129.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.74 35.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 69.75 47.34 48.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.4 m -155.15 126.02 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' HG21 ' A' ' 76' ' ' THR . 26.7 t80 -71.65 107.95 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.407 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -97.37 -16.46 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.0 174.96 18.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.09 -162.71 37.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.81 -35.07 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -75.89 -69.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -43.22 -55.29 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 106' ' ' LEU . 54.9 m -51.0 -41.38 59.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.513 ' CE1' ' HE3' ' A' ' 102' ' ' LYS . 2.4 t60 -62.07 -40.23 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -67.58 -53.19 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.11 -57.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 17.6 t60 -46.4 -41.65 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.513 ' HE3' ' CE1' ' A' ' 98' ' ' HIS . 28.1 mttt -67.83 -38.59 83.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.52 6.16 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 64.58 25.07 69.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -97.6 0.83 48.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 97' ' ' THR . 6.2 tt -107.06 -39.08 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -59.97 -43.84 95.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.92 -23.56 4.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.403 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.69 -44.04 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.61 -39.23 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 115' ' ' LEU . 41.7 m170 -74.86 -59.58 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' HIS . 7.3 mm100 -34.4 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' HIS . 15.3 t -63.93 -62.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 2.6 p90 -99.37 21.25 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 111' ' ' HIS . 12.7 tp -67.22 162.03 23.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -37.64 155.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.4 tttp 71.08 43.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LYS . 26.1 p -127.75 171.85 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' SER . 27.4 mmtt -36.93 148.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.434 ' NE ' ' N ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -55.79 158.26 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -173.93 130.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -101.77 79.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.11 179.73 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 125' ' ' SER . 32.6 mt-30 -98.55 -50.94 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 124' ' ' GLN . 5.3 t 34.71 41.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.0 83.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -176.18 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.2 t -44.66 124.99 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.3 m -105.15 177.24 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -56.46 132.3 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -74.74 146.56 42.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.5 80.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -153.81 128.27 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -160.53 171.19 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.88 166.58 14.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -134.52 120.7 20.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 HD11 ' N ' ' A' ' 9' ' ' LEU . 11.0 mp -107.01 141.65 37.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.3 -22.69 30.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.08 167.25 24.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mp -85.88 98.12 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.11 21.62 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.06 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m 42.13 49.49 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.37 150.27 17.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.31 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.66 -34.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.5 -23.41 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.0 mt -85.55 -48.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -46.65 -33.45 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -72.89 -41.39 64.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -61.95 -40.56 95.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.4 pt -77.31 -16.32 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -78.77 -53.6 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.56 -39.18 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -89.2 -177.9 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.55 -36.58 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG13 ' CZ ' ' A' ' 47' ' ' PHE . 87.3 t -131.93 122.35 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.524 HG13 ' CE2' ' A' ' 32' ' ' PHE . 84.7 t -123.74 110.17 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.8 mt -99.62 107.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.528 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 38.2 m-85 -97.85 109.07 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 p -118.64 167.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 35' ' ' THR . 9.9 pttt -135.03 37.26 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.474 ' C ' ' O ' ' A' ' 34' ' ' LYS . 45.4 p 30.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 t -128.31 -40.13 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.33 128.92 44.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.5 m -51.38 -40.88 60.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -46.66 -21.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -46.67 -47.03 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -71.64 -35.93 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -53.22 -42.07 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.58 -59.25 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -48.52 -44.19 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -70.83 -46.24 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.4 tp -42.92 -60.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 79.9 m-85 -63.88 -44.42 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.37 -51.53 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.65 -36.67 84.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 mtp -75.6 -7.01 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 58.73 35.67 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.8 t -104.69 101.69 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.4 t-20 -35.26 112.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.48 170.45 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -135.84 105.8 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.07 130.33 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.528 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 47.3 t -126.06 99.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 60.9 mt-10 -68.99 127.59 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.2 -46.44 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -21.05 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -91.66 -35.87 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.15 164.39 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.43 -29.97 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -109.89 33.56 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.62 -46.92 93.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -49.66 -25.78 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -79.27 -72.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -50.98 -18.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -36.87 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.04 -45.59 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.34 68.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -76.84 -49.25 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' GLY . 16.4 t80 -47.31 -27.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -77.31 -50.34 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 mtm -60.53 -24.46 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.425 HG21 ' CD2' ' A' ' 90' ' ' PHE . 11.7 p -104.49 -27.44 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 86.27 -16.93 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.02 157.06 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD ' ' A' ' 79' ' ' ARG . 2.3 ppt_? -100.91 39.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.7 p -94.08 120.7 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.499 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -114.2 159.08 37.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.73 -178.51 16.84 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.365 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -128.28 112.97 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 85' ' ' PHE . 5.3 mp -98.35 133.51 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.412 ' N ' HG22 ' A' ' 84' ' ' ILE . 41.8 m-85 -128.62 120.14 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.1 t -103.67 120.19 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 50.96 36.51 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.97 49.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.99 141.05 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.425 ' CD2' HG21 ' A' ' 76' ' ' THR . 28.4 t80 -84.4 105.35 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.406 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -94.53 -17.76 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.19 161.97 9.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.04 -169.03 30.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -41.7 -66.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -44.56 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -44.37 -64.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.7 m -40.65 -43.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -63.81 -45.32 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.67 -44.29 90.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.3 mt -47.7 -50.93 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -57.34 -41.17 79.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.93 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.86 -31.34 71.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.8 51.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -130.09 10.15 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.1 tt -109.11 -49.59 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -58.19 -43.84 98.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.6 Cg_exo -48.0 -21.37 2.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.28 -44.02 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.8 t -46.38 -41.01 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.565 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 60.4 m170 -73.71 -40.9 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -48.59 -21.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.7 t -68.28 -56.28 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.554 ' CE1' HD23 ' A' ' 115' ' ' LEU . 1.5 p90 -70.13 -30.15 67.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER -40.08 123.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 117' ' ' LYS . 6.7 ptmm? 41.14 48.78 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' LYS . 34.3 mttt -34.68 138.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 t -91.32 34.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -161.75 163.41 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -113.32 89.18 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -101.44 148.45 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -77.76 154.65 31.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -100.91 96.89 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -56.02 141.7 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.4 p -130.91 96.95 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -121.53 -76.14 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 m -87.66 168.44 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.2 p -53.24 -57.61 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.523 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -144.18 167.48 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.5 m -74.84 128.17 34.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.13 47.21 5.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -161.81 164.36 28.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 p -44.98 150.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.79 -104.71 0.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -163.16 129.1 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . 13.9 mt -149.82 161.91 41.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . 13.9 pt-20 -34.93 -42.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -58.96 153.24 17.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -82.17 -4.77 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' THR . . . 51.56 24.97 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' ALA . 7.2 m 34.29 45.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.663 ' N ' HD22 ' A' ' 18' ' ' ASN . . . -46.24 152.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.97 37.29 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 14.5 p -71.35 -49.94 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.663 HD22 ' N ' ' A' ' 15' ' ' ALA . 4.1 p30 -54.72 -44.6 73.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -51.97 -34.18 41.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mt -80.39 -43.16 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 41.3 mt-30 -49.95 -39.19 39.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -41.99 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG1' ' O ' ' A' ' 21' ' ' GLN . 32.1 pt -60.94 -36.12 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 m -72.24 -54.28 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.0 -66.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.09 153.96 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -73.58 -56.05 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -133.74 125.97 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.537 HG13 ' CE2' ' A' ' 32' ' ' PHE . 87.7 t -116.73 125.89 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mt -115.32 115.7 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CE2' HG13 ' A' ' 30' ' ' VAL . 68.3 m-85 -101.49 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -120.61 149.56 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' THR . 12.5 pttt -116.33 33.69 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 57.2 p 33.61 46.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -127.67 -45.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.14 137.57 32.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -58.43 -39.89 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 40.6 m-85 -46.7 -22.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' THR . 10.3 p -48.7 -44.53 38.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 3.5 t -72.65 -31.05 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtp -63.33 -41.32 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -57.27 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -57.5 -53.55 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -54.22 -43.03 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 97' ' ' THR . 15.2 tp -52.69 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -49.66 -46.23 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -49.16 -40.05 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.21 -35.8 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.58 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 13.4 mtm -74.02 -7.01 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 59.87 33.99 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASN . 71.5 t -103.25 97.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -34.24 110.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -118.91 172.14 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -136.24 105.92 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -98.26 145.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.5 t -133.24 111.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -78.99 108.69 12.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.0 mt -76.29 -49.71 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -45.41 -33.08 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.48 -26.15 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.05 120.46 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.24 -35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -105.49 36.28 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.12 98.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.19 -21.23 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.9 -67.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -62.77 -44.47 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.13 -47.73 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.63 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 30.5 mt -62.38 -57.2 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -40.04 -27.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.5 mtpt -78.92 -48.11 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.6 mtm -70.92 -19.41 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.1 p -104.0 -31.48 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 -30.19 7.66 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -130.78 152.21 50.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -89.13 50.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.5 p -95.74 140.95 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 m -137.51 154.42 75.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.716 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.74 177.35 29.12 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.372 -0.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -127.59 114.73 17.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.402 ' CG2' HD13 ' A' ' 91' ' ' ILE . 5.3 mp -100.06 143.35 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -141.83 119.21 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.23 113.35 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 62.79 26.53 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 43.44 10.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.51 130.74 13.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -75.74 90.52 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.402 HD13 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -74.72 -17.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.73 166.03 11.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.85 -161.06 8.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -54.93 -63.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -47.39 -66.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.43 -58.56 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.449 HG23 ' CD2' ' A' ' 46' ' ' LEU . 3.5 m -46.54 -43.23 16.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -63.76 -39.65 94.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -68.21 -45.21 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.1 mt -46.72 -52.42 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.58 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 78.5 t60 -47.75 -43.96 27.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.25 -52.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.45 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 38.5 mt-10 -62.93 -11.57 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.23 27.5 59.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 10.0 mttp -111.43 18.53 19.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' CD1' HG22 ' A' ' 97' ' ' THR . 4.7 tt -121.96 -44.1 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -61.3 -43.81 91.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.96 -23.94 4.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.65 -44.53 6.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.2 t -45.51 -31.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.582 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 46.4 m170 -81.3 -52.52 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -51.71 -29.55 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -34.04 71.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -135.04 34.38 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 tt -91.46 159.41 15.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.69 44.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' SER . 19.4 mmtm -132.51 -179.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 117' ' ' LYS . 93.0 p -34.69 -35.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 117' ' ' LYS . 7.4 tmtm? -100.6 114.42 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -137.73 118.79 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.43 179.08 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -98.67 117.8 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -170.4 156.81 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -118.84 169.44 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.3 p -163.91 177.98 8.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.92 92.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.36 19.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 t -112.4 174.8 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -151.39 165.47 33.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -156.75 144.0 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -133.77 163.19 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.39 165.9 2.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -156.04 147.32 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 m -94.26 91.41 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.74 -164.92 12.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -145.49 148.39 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.27 162.54 35.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.61 142.12 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -171.28 173.12 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -93.95 125.49 38.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.0 105.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m -95.53 40.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 164.26 0.57 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.722 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 18' ' ' ASN . 14.8 p -48.36 -45.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' N ' HG12 ' A' ' 17' ' ' VAL . 60.5 m-20 -52.09 -48.67 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -54.38 -35.66 63.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.446 HG22 ' CZ ' ' A' ' 32' ' ' PHE . 30.1 mt -75.8 -43.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -58.48 -40.85 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.0 pt-20 -71.46 -40.92 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 58.6 m -57.13 -51.04 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 45.1 pt -59.19 -38.43 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.454 ' N ' HG13 ' A' ' 24' ' ' ILE . 55.0 m -68.83 -47.45 65.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.76 -62.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.49 173.81 6.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 m -93.51 -50.34 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.53 126.94 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 32' ' ' PHE . 58.7 t -123.99 111.68 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 HD13 ' CD2' ' A' ' 47' ' ' PHE . 20.7 mt -98.06 127.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 30' ' ' VAL . 70.5 m-85 -110.15 115.4 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 p -129.14 151.83 49.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' THR . 22.0 pttt -118.16 34.21 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 41.5 p 33.63 46.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.7 m -128.92 -45.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 3.9 t -94.21 129.62 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' TYR . 13.3 t -41.39 -52.93 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 40' ' ' CYS . 47.6 m-85 -35.49 -37.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' TYR . 28.6 p -34.09 -44.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 42' ' ' MET . 12.6 t -76.41 -44.85 34.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.418 ' N ' ' CG2' ' A' ' 41' ' ' THR . 14.5 mtp -41.32 -49.64 3.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.41 -57.31 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -52.33 -55.03 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -56.89 -46.11 82.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -49.03 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.454 ' CD2' HD13 ' A' ' 31' ' ' ILE . 73.2 m-85 -62.15 -47.9 82.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.16 -51.48 18.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.28 -35.44 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.413 ' HE1' ' ND1' ' A' ' 101' ' ' HIS . 22.8 mtp -77.68 -12.19 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 62.07 33.74 16.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' ASN . 97.0 t -102.39 101.43 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -34.83 109.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -117.19 172.08 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -134.4 105.62 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -99.3 142.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 62' ' ' LEU . 56.0 t -129.05 113.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' CB ' HD12 ' A' ' 61' ' ' LEU . 2.1 mp0 -81.43 101.32 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.77 -51.34 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -46.09 -47.49 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 58' ' ' GLU . 18.5 mt -71.41 -40.63 70.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 57' ' ' VAL . 13.9 mt -50.9 131.26 26.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.14 -36.18 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.14 40.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.92 61.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -48.33 -35.37 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.82 -71.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.39 -23.38 37.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.44 -46.74 87.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.3 -53.76 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.88 -52.48 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.503 HD23 ' CD2' ' A' ' 32' ' ' PHE . 31.3 mt -56.96 -45.47 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -54.21 -31.14 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -80.13 -50.36 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.924 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.9 mtm -68.2 -20.02 64.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.3 p -102.3 -38.56 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.48 8.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 174.98 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -106.48 45.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 66.8 p -95.71 165.29 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.514 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 2.5 m -164.97 155.41 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.81 -178.6 17.16 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.334 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.648 ' NH2' ' CZ ' ' A' ' 90' ' ' PHE . 24.2 mmm180 -137.87 117.59 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.91 139.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -134.76 118.02 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.0 t -108.57 133.78 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 44.7 47.75 8.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 60.52 33.85 83.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -143.36 143.34 31.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 77.8 t80 -91.04 87.67 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -23.35 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . 144.18 165.88 11.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.31 -172.94 4.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.45 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.19 -58.62 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 m -51.73 -58.68 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -64.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.1 m -42.42 -41.63 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.09 -48.22 82.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -59.17 -50.0 75.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.4 mt -42.88 -56.14 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.413 ' ND1' ' HE1' ' A' ' 50' ' ' MET . 58.6 t60 -46.37 -50.95 15.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.22 -62.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.31 -22.56 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.44 49.6 2.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -122.5 -6.01 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.442 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.1 tt -97.55 -53.63 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.69 -44.04 98.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.9 Cg_exo -47.96 -32.59 18.29 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.09 -34.66 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.79 -60.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.542 ' CE1' HD11 ' A' ' 107' ' ' LEU . 29.8 m170 -52.71 -52.37 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -41.12 -47.25 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.1 t -42.37 -41.9 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.6 p90 -131.6 78.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.6 mt -131.8 -44.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.74 -46.12 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -47.82 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 83.3 p -96.81 158.35 15.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.8 122.15 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -89.81 90.47 8.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -59.45 164.47 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.39 156.77 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -125.58 175.69 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -110.42 152.26 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 m -103.25 168.78 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.64 -144.54 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 134.19 27.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.0 t -138.4 173.87 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.8 t -108.65 141.52 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -139.83 120.71 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -173.48 149.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.04 48.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 p -134.93 134.87 41.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 m -39.63 -58.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.34 172.46 26.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.6 p -135.47 164.29 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 175.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -169.14 136.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -59.64 147.43 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.09 93.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.74 23.48 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m 40.63 50.02 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 164.35 11.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.71 4.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.282 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.6 -38.46 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -60.49 -51.07 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -47.88 -35.13 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 23' ' ' THR . 18.3 mt -73.94 -51.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -41.72 -37.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.81 -37.67 73.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' ILE . 26.3 m -59.84 -49.44 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 pt -60.56 -32.17 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.2 t -65.13 -59.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -56.51 13.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -82.39 95.59 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -40.27 -32.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.24 128.51 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.635 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 75.7 t -134.44 118.3 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.13 101.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.635 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 58.8 m-85 -88.89 105.94 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p -110.81 167.27 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -112.78 4.22 16.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p 48.27 45.84 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -130.06 -34.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' CB ' ' HE3' ' A' ' 34' ' ' LYS . 11.9 t -113.47 159.96 18.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 m -63.75 -37.15 86.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -43.34 -37.77 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -40.51 38.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 3.4 m -81.27 -30.44 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.0 mmm -59.31 -39.6 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -66.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 3.8 pttp -59.84 -32.14 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' THR . 75.2 tttt -61.8 -38.66 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 98' ' ' HIS . 7.3 tp -67.53 -51.66 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.02 -39.99 96.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -52.44 -57.16 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.88 -33.3 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 mtp -75.87 -14.97 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 70.94 35.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.9 102.48 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -39.94 114.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 44' ' ' LYS . 35.6 p90 -117.05 171.81 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -133.62 105.78 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.44 133.03 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.4 t -122.7 115.25 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -78.67 102.83 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.97 -49.4 45.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.96 -36.86 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -76.34 -35.53 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.5 148.61 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.76 -40.53 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -101.44 38.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.84 -47.74 86.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -56.88 -17.07 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.19 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.33 -30.48 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.12 -49.48 75.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.5 -58.33 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.7 -49.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' MET . 24.9 mt -60.89 -57.11 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CD2' ' C ' ' A' ' 78' ' ' GLU . 6.8 t80 -42.09 -29.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -80.46 -37.53 31.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtm -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.5 p -95.7 -43.1 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.32 -19.64 22.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -127.89 -176.42 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.411 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -111.79 -7.03 14.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.35 167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.492 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.0 OUTLIER -167.64 159.35 9.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.122 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.77 -179.92 20.53 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.315 -0.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 79' ' ' ARG . 47.9 mtt180 -114.22 113.57 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.07 129.13 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -125.7 119.19 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.0 t -103.8 111.13 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.36 35.22 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.58 44.88 38.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -153.71 146.78 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.16 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -90.59 108.79 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.405 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.44 -19.36 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 170.87 17.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.25 -156.06 32.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.7 -70.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.92 -68.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 99.3 m -40.19 -43.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 4.6 t60 -65.61 -49.17 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -39.57 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.0 mt -53.63 -52.59 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.51 -37.7 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -59.73 -55.24 36.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -68.81 -27.06 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.57 35.65 4.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -114.68 9.85 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 7.9 tt -109.52 -48.92 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.702 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -57.22 -43.96 99.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.98 -34.58 23.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.03 -30.04 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.9 t -58.08 -57.27 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.702 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 42.7 m170 -49.4 -40.8 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.46 -28.77 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.1 -39.83 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.5 p90 -132.39 69.08 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.3 mt -139.07 170.32 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt 56.12 50.82 12.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -104.64 91.8 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -97.68 167.81 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -50.7 -53.99 26.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.63 153.1 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -162.26 143.1 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -116.79 153.41 32.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -157.46 157.64 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -173.45 132.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -139.25 163.43 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -127.59 88.34 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 94.38 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.6 t -94.1 143.05 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.0 m -58.74 115.05 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -133.02 43.75 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -134.38 116.12 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.56 122.35 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -162.48 175.81 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -137.8 165.62 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.54 87.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -154.92 166.12 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD1' ' OE1' ' A' ' 10' ' ' GLU . 4.4 pp -125.54 1.95 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' OE1' ' CD1' ' A' ' 9' ' ' LEU . 1.6 pm0 -134.52 103.26 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.86 140.73 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.41 141.54 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.29 23.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -105.33 44.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.93 158.74 2.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -40.26 5.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.302 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.57 -41.87 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -55.4 -42.56 74.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -60.41 -31.45 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.4 mt -80.71 -48.73 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -47.27 -36.71 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.27 -42.29 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 m -58.14 -51.02 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.96 -26.83 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -76.95 -57.82 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.76 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -78.54 161.73 26.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 99.9 m -83.82 -51.78 6.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.34 140.98 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' CE2' ' A' ' 32' ' ' PHE . 58.2 t -131.98 136.52 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' N ' HG11 ' A' ' 30' ' ' VAL . 99.1 mt -124.18 105.66 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.514 ' CE2' HG13 ' A' ' 30' ' ' VAL . 52.7 m-85 -91.85 107.26 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -114.24 169.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 35' ' ' THR . 17.3 pttt -131.37 28.88 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.1 p 31.43 46.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -133.02 -40.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.37 167.51 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 m -87.07 -40.44 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 21.7 m-85 -47.57 -26.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.5 p -48.87 -24.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -92.46 -35.47 13.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 8.5 ptm -59.82 -41.7 91.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.91 -56.29 5.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -55.01 -41.91 71.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -72.36 -36.56 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.85 -52.66 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.55 -46.89 68.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -47.86 -52.13 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.98 -33.99 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.8 mtp -75.59 -14.71 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 71.28 30.78 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASN . 84.8 t -103.82 98.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.9 t-20 -35.5 115.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -116.63 172.06 7.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 106.66 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.1 148.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -146.85 105.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.57 115.32 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 72' ' ' LEU . 86.3 mt -78.91 -43.56 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.54 -12.47 10.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.654 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.3 -40.49 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.31 161.86 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.43 -34.83 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -106.44 33.98 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.17 88.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.71 -24.29 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -82.83 -70.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -52.17 -20.98 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.47 -43.15 73.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.46 -45.71 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.48 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 32' ' ' PHE . 30.8 mt -66.59 -47.33 73.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -51.0 -25.08 4.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -84.19 -51.19 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.0 mtm -59.85 -19.78 53.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 p -104.01 -43.59 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.82 -22.78 31.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -128.7 159.57 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -99.57 50.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 31.1 p -98.38 174.98 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.511 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 2.7 m -167.05 155.05 8.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.4 Cg_endo -69.76 -179.43 19.15 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.348 -0.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.96 114.69 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 91' ' ' ILE . 5.4 mp -101.06 138.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -138.24 120.39 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.0 t -102.99 116.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 53.64 41.08 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.8 42.7 78.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.56 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.0 m -147.73 129.73 15.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.24 89.06 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -65.91 -25.34 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.3 13.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -68.82 169.45 42.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -36.04 -61.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -49.89 -68.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -40.68 -58.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.3 m -43.44 -53.74 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -50.24 -39.21 44.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -65.71 -43.52 88.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.6 mt -47.65 -51.29 22.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -53.77 -61.66 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -42.07 -47.67 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.99 -28.27 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.35 46.47 2.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -127.41 8.96 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 3.4 tt -101.94 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.72 -43.87 98.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.91 -29.42 11.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.66 -40.3 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.412 HG12 ' CG1' ' A' ' 52' ' ' VAL . 95.1 t -47.5 -44.11 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 51.8 m170 -65.72 -41.49 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -40.19 -37.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.6 t -50.89 -48.74 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.1 p90 -128.01 49.12 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.8 tp -79.26 166.16 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.1 tttm 69.64 47.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' LYS . 31.7 tttt -105.94 147.43 28.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -47.92 90.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -175.0 177.74 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.47 117.6 15.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -150.37 165.19 33.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.72 73.0 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.461 ' O ' ' CG ' ' A' ' 123' ' ' PHE . 3.2 p90 -47.16 124.96 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -173.81 137.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -127.5 172.35 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -148.34 65.28 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 96.34 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.2 t -83.71 81.57 8.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -38.12 138.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -94.05 135.21 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -151.23 129.47 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.91 165.16 16.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -112.71 157.3 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -121.12 117.99 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.5 43.77 18.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p -95.6 101.39 13.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt -110.64 -5.91 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 40.06 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -117.64 141.85 47.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.99 103.91 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.33 22.27 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -107.92 39.02 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.55 163.97 1.7 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.042 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -41.9 3.8 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 9.6 p -52.26 -46.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 44.1 m-80 -54.09 -51.84 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -51.69 -37.35 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' THR . 34.9 mt -71.65 -54.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -39.61 -41.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.71 -38.93 92.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' ILE . 94.3 m -64.08 -48.44 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.4 pt -67.52 -34.98 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -60.36 -40.54 91.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.6 -63.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -73.7 158.28 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -85.38 -53.31 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG11 ' CE1' ' A' ' 47' ' ' PHE . 95.9 t -114.65 114.48 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.56 110.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.8 mt -101.19 100.24 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 59' ' ' LEU . 20.4 m-85 -87.71 116.08 25.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -122.02 152.33 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' THR . 8.8 ptpt -119.74 27.53 8.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . 62.1 p 33.57 49.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.8 m -130.07 -45.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.94 171.63 9.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -82.45 -41.95 19.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.408 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 23.5 m-85 -48.52 -21.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 13.5 p -53.42 -22.99 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 42' ' ' MET . 3.2 t -95.08 -40.05 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.454 ' N ' HG23 ' A' ' 41' ' ' THR . 10.3 ptm -56.1 -41.68 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.42 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -53.28 -49.47 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.42 -35.88 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.89 -65.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CE1' HG11 ' A' ' 29' ' ' VAL . 81.7 m-85 -64.7 -42.77 95.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -52.92 -52.39 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.15 -31.23 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.1 mtp -78.55 -10.95 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 m120 64.12 33.79 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 93.7 t -105.13 99.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 26.1 t-20 -35.38 113.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -116.9 172.14 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -131.05 105.57 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.1 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 81.7 t -134.57 105.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' CD ' HD13 ' A' ' 61' ' ' LEU . 8.5 mt-10 -73.57 100.12 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 32' ' ' PHE . 32.3 mt -71.38 -52.08 20.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.43 -48.69 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.422 HD13 ' CD ' ' A' ' 58' ' ' GLU . 15.6 mt -74.13 -39.23 63.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.406 HD23 ' CE1' ' A' ' 64' ' ' TYR . 17.5 mt -57.58 144.9 35.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 7.4 pt-20 -67.47 -25.2 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -108.21 35.93 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.86 -41.74 9.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.55 -12.82 48.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 64' ' ' TYR . 5.8 pt20 -95.09 -46.78 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -78.68 -14.72 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.12 -37.04 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.21 -50.75 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -39.25 65.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.72 -52.35 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -46.88 -28.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -80.4 -47.57 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 20.8 mtm -65.43 -20.22 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.433 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 11.5 p -97.88 -51.91 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.11 -14.98 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.94 173.6 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -102.04 42.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.6 p -96.84 117.61 31.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.508 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -120.26 157.85 52.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.75 179.54 21.99 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.331 -0.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -122.81 120.87 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.8 135.76 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -132.98 122.5 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.93 107.59 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 66.44 30.6 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.23 41.57 21.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -147.24 127.6 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.159 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 50.7 t80 -75.1 89.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.03 -24.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.65 159.56 9.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -71.34 173.87 42.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -35.05 -60.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 m -48.16 -64.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -47.63 -59.05 3.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.8 m -41.99 -44.02 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -59.91 -41.7 92.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -66.74 -49.48 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 71.1 mt -42.12 -57.06 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -47.95 -40.6 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -70.75 -52.41 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.78 -17.05 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.64 46.86 5.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -131.5 15.74 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.9 tt -116.34 -58.97 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.604 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -55.31 -43.69 99.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.1 Cg_exo -48.0 -25.28 6.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -95.81 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.08 -34.73 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 107' ' ' LEU . 56.8 m170 -93.95 39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -131.76 -39.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -60.96 -60.74 3.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.4 ' O ' ' CG ' ' A' ' 114' ' ' TYR . 1.3 p90 -88.24 20.66 3.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.22 161.51 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 tttp 70.62 52.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -100.56 128.03 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' LYS . 60.2 p -36.45 114.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -157.09 143.65 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -80.6 44.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -137.19 147.13 45.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -44.06 155.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -160.37 151.12 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -76.81 173.96 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.1 p -80.65 162.2 24.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -136.47 122.09 2.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.85 17.71 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 60.6 p -80.47 170.54 16.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.1 p -126.11 108.78 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m 49.65 42.45 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -118.23 137.2 53.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 41.34 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -77.52 84.32 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -68.59 -55.05 12.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.46 -168.06 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -101.35 -46.55 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -151.42 115.03 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -81.99 122.33 27.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -129.84 21.89 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.57 102.77 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.79 22.35 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -98.44 48.52 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.65 164.06 0.43 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG2' ' CG ' ' A' ' 75' ' ' MET . 4.9 p -51.49 -36.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.05 -30.0 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.555 HG21 ' CZ ' ' A' ' 32' ' ' PHE . 29.5 mt -81.65 -41.62 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.07 -41.44 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.8 -32.5 74.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.4 m -69.29 -51.79 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 16.3 pt -64.55 -33.93 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -66.52 -39.33 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -82.42 -59.51 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -64.93 168.17 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -89.65 -48.93 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.53 130.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 86.8 t -129.07 110.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.6 mt -98.12 112.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CZ ' HG21 ' A' ' 20' ' ' ILE . 29.0 m-85 -98.67 109.32 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 p -117.79 153.39 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 35' ' ' THR . 11.0 ptmt -118.0 33.01 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 34' ' ' LYS . 43.2 p 30.29 45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.438 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 33.0 t -122.89 -46.14 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.11 161.08 14.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -73.23 -28.07 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.443 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 60.2 m-85 -56.47 -15.62 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 18.2 p -55.75 -36.35 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' MET . 1.3 t -82.9 -39.2 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 30.7 mtp -48.47 -52.88 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.04 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.6 mppt? -60.13 -60.11 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -28.98 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.85 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -63.47 -46.38 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -51.23 -55.75 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.58 -30.36 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 27.7 mtp -80.76 -13.66 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.93 34.2 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.9 t -105.88 101.83 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.7 t-20 -37.71 111.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -119.0 172.19 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.91 106.2 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.48 137.26 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -128.5 101.9 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 16.5 mt-10 -69.57 131.49 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.61 -43.54 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.43 -26.4 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 35' ' ' THR . 1.2 mm? -93.91 -41.3 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 58' ' ' GLU . 11.6 mt -45.84 172.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -80.83 -56.46 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 2.3 p90 -91.75 38.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.53 -49.19 61.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -50.81 -24.27 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.73 -67.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -55.42 -15.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -74.01 -52.29 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.88 -49.36 65.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.22 -53.03 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.87 -60.44 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -41.33 -29.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -86.27 -40.02 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.438 ' CE ' HG22 ' A' ' 20' ' ' ILE . 10.6 mtm -61.06 -29.69 69.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.558 ' HB ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -115.68 -52.52 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.8 -11.8 9.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -110.06 150.35 28.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 2.3 mtm180 -93.3 -33.2 14.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -37.35 153.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -144.96 159.2 50.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 111.128 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.74 -178.42 16.65 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.36 -0.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' NH1' ' CG1' ' A' ' 81' ' ' VAL . 6.0 mpt_? -112.11 124.38 52.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.427 HG23 ' CD1' ' A' ' 91' ' ' ILE . 4.6 mp -104.35 133.06 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 42.4 m-85 -136.33 136.6 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.5 t -120.25 109.06 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.5 OUTLIER 66.18 36.44 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 69.86 34.94 72.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -145.89 120.72 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 111.135 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 45.2 t80 -62.53 134.5 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.427 ' CD1' HG23 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -125.15 -13.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.55 165.84 11.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.08 -161.67 29.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -49.94 -54.74 17.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -59.91 -68.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.47 -55.71 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 99.2 m -50.54 -45.02 56.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -41.07 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 102' ' ' LYS . 68.6 ttt180 -64.35 -51.83 61.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.4 mt -40.54 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.8 t60 -51.71 -33.82 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' ARG . 51.6 mttt -76.93 -56.46 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.28 -25.41 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.27 42.09 4.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -129.21 14.07 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.401 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.8 tt -112.87 -46.15 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -65.12 -43.69 67.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 63.9 Cg_exo -47.96 -28.45 10.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.83 -43.87 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.6 t -50.47 -34.45 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.55 ' CE1' HD11 ' A' ' 107' ' ' LEU . 55.3 m170 -91.58 38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -130.32 -41.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 25.4 p -65.31 -38.58 90.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.623 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -73.74 -33.88 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 114' ' ' TYR . 12.0 mt -48.34 159.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -40.52 131.51 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -139.66 -177.84 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 p -92.83 162.24 14.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -63.18 165.04 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -133.78 144.29 48.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -80.43 148.51 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -106.64 152.99 23.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.08 136.43 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.45 153.82 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.9 m -121.2 121.87 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.12 -154.79 6.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.1 69.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 49.9 m -153.86 139.58 17.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.0 m -69.23 165.33 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -76.19 174.06 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -54.31 162.1 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.99 74.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 64.2 42.24 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 133.28 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.45 47.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -83.39 84.6 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.82 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.32 105.38 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.33 146.38 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -134.16 156.92 47.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.6 mp -96.21 113.68 25.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.18 21.38 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m 45.94 47.07 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 161.64 57.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.34 2.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.91 -40.72 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -59.4 -47.3 85.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.04 -24.73 10.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.4 mt -87.72 -43.24 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.15 -23.78 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.7 pt-20 -85.3 -39.86 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 33.8 m -63.5 -36.22 83.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.5 pt -75.49 -31.73 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -75.75 -59.33 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -51.86 -48.31 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -86.24 -176.01 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.0 -47.28 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.38 132.44 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.566 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 97.0 t -128.8 111.2 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mt -94.91 99.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 50.1 m-85 -87.5 104.57 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.3 p -140.1 172.0 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -122.25 -173.74 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.6 p -109.12 59.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -133.68 -39.68 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -95.97 160.0 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 p -79.03 -45.59 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' THR . 21.8 m-85 -45.72 -37.29 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -39.99 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.3 t -94.27 -38.65 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 10.8 ptm -54.93 -46.8 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.58 -51.84 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.61 -51.75 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -58.19 -45.73 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.01 -72.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.89 -38.18 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -48.96 -49.41 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -65.71 -28.15 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 9.9 mtm -81.58 -9.95 59.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 64.41 37.52 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.3 t -107.23 95.52 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' VAL . 69.9 m-80 -34.64 114.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -121.73 166.21 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -132.4 105.76 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.2 132.15 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.4 t -119.25 123.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -86.53 105.58 16.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.98 -18.24 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.63 -57.38 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.95 -27.37 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' GLY . 13.8 mt -59.94 108.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.7 -40.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -99.76 40.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -64.84 -51.04 55.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -53.08 -20.05 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -79.67 -70.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.52 -21.13 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.67 -41.1 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.84 -47.57 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.23 64.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.7 -50.77 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.99 -18.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -87.77 -49.28 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.18 -14.77 63.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.571 ' HB ' ' CZ ' ' A' ' 90' ' ' PHE . 6.3 p -107.51 -40.14 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.3 53.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -146.93 159.41 43.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -104.74 51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.523 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 54.2 p -106.78 107.56 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.488 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.0 OUTLIER -95.5 160.45 30.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.71 -177.6 14.83 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.358 -0.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -136.15 115.42 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.455 ' CG2' HD11 ' A' ' 91' ' ' ILE . 4.7 mp -98.03 138.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 89' ' ' THR . 29.8 m-85 -133.98 118.35 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 89' ' ' THR . 81.3 t -109.13 141.21 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' VAL . 34.5 t-20 35.02 47.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.18 39.61 97.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.528 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -128.44 -177.87 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.169 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CZ ' ' HB ' ' A' ' 76' ' ' THR . 8.6 t80 -132.26 71.79 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -57.86 -18.92 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.63 -155.63 22.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.07 -159.31 25.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.97 -70.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.08 -68.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -44.04 -61.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 99.2 m -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.65 -51.91 67.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -59.05 -41.05 86.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.449 ' CD1' ' HB ' ' A' ' 91' ' ' ILE . 40.5 mt -50.91 -55.03 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 74.5 t60 -53.14 -42.94 66.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -55.85 -67.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.52 -23.89 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.24 38.26 5.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.54 -3.52 16.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tt -99.97 -35.26 9.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.616 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.98 -43.89 88.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.94 -26.46 7.46 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.4 -43.26 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.4 t -50.43 -37.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.616 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 30.0 m170 -70.4 -21.64 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -76.4 -13.19 60.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -55.18 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 2.7 p90 -66.72 -30.79 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 114' ' ' TYR . 10.5 mt -39.06 154.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' LEU . 10.9 ptpt -35.69 -52.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' SER . 4.7 mtpm? 40.04 49.23 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 117' ' ' LYS . 5.4 t -35.82 125.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -159.32 177.89 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -65.73 147.62 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.1 95.33 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -99.04 24.14 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -86.91 171.34 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -164.31 170.12 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.8 t -75.95 143.76 41.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.63 124.11 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.4 Cg_endo -69.79 -2.91 10.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' PRO . 1.1 t -36.39 118.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.7 p -104.32 -37.06 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -174.79 157.3 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -172.9 168.54 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 142.21 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -172.84 109.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -160.71 160.83 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.17 116.38 2.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -174.35 106.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 mp -144.47 173.54 11.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.36 145.81 44.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -162.05 178.99 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.3 124.77 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.04 105.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 m -82.57 37.73 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.88 159.15 0.24 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -43.25 2.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.63 -33.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.93 -31.9 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -75.75 -40.12 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.52 -41.87 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -72.72 -36.68 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -63.76 -54.44 35.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 46.6 pt -52.3 -33.55 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.8 t -70.9 -62.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.3 -58.16 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -77.74 151.66 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.0 t -70.21 -53.37 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -131.1 140.59 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 88.0 t -135.3 124.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.0 mt -115.64 116.9 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 65.6 m-85 -103.64 106.72 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -117.71 145.42 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' CA ' ' HB2' ' A' ' 60' ' ' ASP . 6.5 pttp -108.94 34.5 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.3 p 32.86 42.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.7 m -119.6 -47.27 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -95.22 130.71 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' CYS . 6.1 m -46.12 -50.09 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 44.5 m-85 -37.53 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' SER . 31.2 p -39.69 -41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 42' ' ' MET . 7.1 t -76.08 -38.41 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.447 ' N ' HG21 ' A' ' 41' ' ' THR . 20.1 mmm -50.24 -56.06 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.06 -62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -57.85 -40.83 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -58.78 -33.19 70.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.94 -55.63 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.12 -54.12 42.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.95 -45.24 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -65.51 -34.86 79.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 18.3 mtp -78.18 -8.02 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 62.02 35.81 15.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.8 t -105.38 103.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' VAL . 23.0 t-20 -38.01 110.45 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 44' ' ' LYS . 36.6 p90 -116.58 171.98 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -136.25 110.11 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.28 140.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.5 t -128.26 113.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.42 ' CB ' HD13 ' A' ' 61' ' ' LEU . 4.5 mp0 -79.67 99.86 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.08 -50.21 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 3.8 t70 -43.54 -47.12 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 58' ' ' GLU . 19.8 mt -70.31 -39.93 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 mt -53.42 136.89 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -57.65 -41.14 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -98.8 37.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.56 29.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -47.57 -29.65 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.95 -72.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -57.07 -25.46 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -61.4 -48.73 79.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.68 -57.17 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.87 -51.66 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.78 -50.7 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -47.94 -29.02 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -79.24 -44.99 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 16.4 mtm -70.41 -25.12 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 28.4 p -99.29 -38.84 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.6 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -123.21 153.99 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 17.4 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -64.45 158.38 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.5 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -155.01 158.56 32.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.76 -178.1 16.0 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.333 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -121.02 112.6 18.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 85' ' ' PHE . 5.2 mp -100.94 136.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 84' ' ' ILE . 15.5 m-85 -135.49 118.22 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 91' ' ' ILE . 95.0 t -99.38 121.33 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 48.59 40.33 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 69.37 36.53 78.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.5 m -144.22 126.15 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -74.52 112.83 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.43 ' CD1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -102.86 -29.26 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.0 167.1 22.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.92 -156.97 18.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -51.95 -58.49 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.2 m -58.99 -71.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.17 -61.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 106' ' ' LEU . 66.4 m -41.46 -49.0 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -56.81 -53.79 53.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -52.07 -53.55 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.0 mt -40.42 -58.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 55.3 t60 -51.6 -47.36 63.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -51.72 -64.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 53.03 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -126.34 -8.84 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 97' ' ' THR . 6.0 tt -94.73 -55.93 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.63 -44.64 95.59 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.0 Cg_exo -47.97 -33.38 20.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.216 . . . . 0.0 112.41 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -88.2 -37.82 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.402 ' O ' ' SG ' ' A' ' 113' ' ' CYS . 87.3 t -49.35 -53.63 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.573 ' CE1' HD12 ' A' ' 107' ' ' LEU . 31.8 m170 -54.01 -42.28 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.31 -55.17 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 114' ' ' TYR . 0.8 OUTLIER -40.47 -41.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 1.5 p90 -131.77 44.36 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 111' ' ' HIS . 9.3 tp -62.62 167.97 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 59.5 tttt -34.54 108.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' SER . 11.5 tptp -166.14 160.76 16.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 117' ' ' LYS . 44.2 p -33.94 109.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -143.57 164.71 29.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -113.65 138.01 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -49.86 148.42 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -155.64 162.18 40.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -148.67 176.18 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -164.03 146.85 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.5 p -114.91 175.3 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.88 146.04 13.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 p -155.63 177.21 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -128.2 175.51 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -57.27 143.77 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -103.71 108.09 19.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.95 170.65 18.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 t -114.81 103.79 11.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -152.88 123.91 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.58 83.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 t -124.08 134.49 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -140.12 159.41 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -118.64 43.26 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -163.97 144.44 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.64 92.83 2.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.98 23.9 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m 42.14 40.25 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.63 161.54 0.4 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -38.79 7.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 18' ' ' ASN . 9.9 p -55.45 -37.63 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' N ' HG12 ' A' ' 17' ' ' VAL . 80.9 m-20 -61.89 -46.93 87.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 26.4 mt-30 -51.57 -24.86 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.4 mt -88.26 -35.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -61.8 -36.68 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.28 -38.37 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.9 m -64.86 -50.9 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 25' ' ' SER . 41.1 pt -57.88 -32.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 37.4 t -66.93 -59.75 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.79 -56.16 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -79.34 173.11 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.45 -56.47 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.6 t -119.9 125.02 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 32' ' ' PHE . 73.7 t -126.02 113.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.0 mt -99.79 109.68 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 30' ' ' VAL . 22.5 m-85 -92.83 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.1 p -113.19 171.92 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 35' ' ' THR . 17.8 ptmt -131.36 25.01 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 34' ' ' LYS . 3.1 t 32.13 45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -134.95 -41.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.7 p -90.66 146.25 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -61.6 -28.22 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -64.64 -16.2 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.4 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 42' ' ' MET . 11.9 t -67.59 -29.27 68.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.452 ' N ' HG23 ' A' ' 41' ' ' THR . 15.6 mmm -53.69 -57.89 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -61.51 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -46.57 -38.2 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -71.11 -49.64 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -45.94 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -57.21 -40.13 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -51.78 -57.18 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -56.91 -33.46 66.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 mtp -77.2 -9.2 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 59.56 37.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG11 ' CG1' ' A' ' 110' ' ' VAL . 86.9 t -105.94 103.54 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' VAL . 54.1 t30 -38.16 110.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -116.7 171.06 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -129.74 105.61 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.58 141.53 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 105.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' CD ' HD21 ' A' ' 61' ' ' LEU . 17.6 mt-10 -77.06 99.91 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.05 -48.17 80.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -45.2 -37.92 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 61' ' ' LEU . 4.6 mp -72.69 -37.03 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.08 161.71 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -80.28 -42.15 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -99.66 40.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.25 -42.6 95.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.5 -19.4 24.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -84.23 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.4 m-85 -58.65 -25.97 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.46 -47.73 82.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -44.76 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.57 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.2 -27.83 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -84.24 -44.86 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.1 mtm -66.34 -22.59 66.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -101.51 -47.6 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.32 -24.04 11.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -131.76 162.69 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -96.39 51.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.1 p -108.14 117.79 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.501 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -114.93 156.92 44.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.79 -178.73 17.4 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.24 113.37 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.31 131.93 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -133.52 121.61 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -102.54 114.6 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 56.62 43.26 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.87 39.71 93.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.2 m -149.23 140.55 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.9 120.84 27.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.404 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -109.07 -23.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.85 166.59 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -85.7 -176.22 50.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -34.21 -61.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -53.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 99' ' ' ARG . 82.8 m-20 -46.12 -68.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.7 m -39.7 -45.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -42.38 95.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ASP . 31.4 ttt180 -67.57 -46.91 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 105' ' ' LYS . 82.1 mt -41.91 -51.45 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -54.74 -44.15 73.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -52.11 -56.59 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -67.47 -30.95 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.93 45.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' CD ' HD22 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.74 7.48 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.443 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.6 tt -102.91 -59.25 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -53.82 -44.19 97.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.7 Cg_exo -48.02 -29.67 12.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 mt -90.12 -37.3 14.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.436 ' CG1' HG11 ' A' ' 52' ' ' VAL . 74.3 t -57.82 -42.33 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.576 ' CE1' HD11 ' A' ' 107' ' ' LEU . 42.4 m170 -92.31 56.07 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -134.8 -41.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.1 p -61.84 -55.2 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 114' ' ' TYR . 4.5 p90 -93.18 27.5 2.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 tp -80.49 -43.35 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 117' ' ' LYS . 9.4 ttmt -48.66 164.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 116' ' ' LYS . 39.0 mtmt -34.36 132.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.0 t -161.44 -178.38 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -82.4 93.54 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -167.31 174.11 8.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 120' ' ' ARG . 1.4 mmmm -36.17 138.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.2 125.25 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -157.54 164.74 37.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -143.45 158.46 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.9 m -147.24 175.24 10.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -107.66 84.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.92 2.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.8 t -83.62 136.03 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -144.97 115.68 7.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -168.72 149.36 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.807 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -50.74 165.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.807 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.6 85.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -173.72 129.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -115.66 165.46 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.25 99.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -150.79 145.74 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.28 165.22 27.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.79 14.58 15.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -145.49 147.35 32.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.6 114.02 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.74 19.55 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m 46.49 54.53 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.94 155.86 85.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 1.9 p -42.48 -45.25 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 5.3 m-20 -58.51 -49.69 76.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 87.3 mm-40 -47.14 -32.78 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.76 -48.84 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.11 -32.77 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 19' ' ' GLN . 5.0 pt-20 -80.56 -32.72 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 82.2 m -73.56 -37.53 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 29.0 pt -76.34 -16.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m -88.34 -29.62 20.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -81.56 -60.12 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -76.77 153.89 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -59.56 -69.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.46 148.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG13 ' CE2' ' A' ' 32' ' ' PHE . 94.1 t -126.25 109.5 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -98.59 105.03 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.504 ' CG ' HD11 ' A' ' 72' ' ' LEU . 59.9 m-85 -89.36 107.02 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -120.46 152.78 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' CE ' HG23 ' A' ' 81' ' ' VAL . 3.5 pttp -120.42 28.85 7.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . 18.5 p 33.64 48.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.1 m -128.26 -45.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.41 140.2 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 m -57.98 -39.92 79.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -52.67 -24.9 9.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 p -57.72 -16.78 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.488 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 6.2 ptm -62.11 -47.0 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.12 -50.56 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -56.31 -49.12 75.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -64.83 -33.86 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.53 -64.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -64.93 -35.89 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.32 -57.04 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.5 -34.85 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.5 mtp -71.08 -13.59 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 68.45 31.83 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 110' ' ' VAL . 34.4 t -104.03 112.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -52.92 116.76 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -119.8 172.17 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -130.55 105.63 7.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.13 139.51 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 62' ' ' LEU . 43.7 t -130.18 103.7 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' CB ' HD13 ' A' ' 61' ' ' LEU . 13.5 mp0 -71.77 103.6 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.31 -49.6 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -47.45 -39.22 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD13 ' CB ' ' A' ' 58' ' ' GLU . 14.1 mt -79.6 -30.15 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD12 ' CG1' ' A' ' 57' ' ' VAL . 17.5 mt -63.18 134.32 55.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.91 -35.2 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -105.01 37.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -53.2 43.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -50.35 -18.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -86.82 -64.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.81 -14.21 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -73.9 -50.02 22.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.1 -44.21 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.74 -43.34 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' A' ' 32' ' ' PHE . 29.8 mt -65.79 -47.97 73.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 t80 -53.52 -22.58 8.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -82.69 -38.1 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.6 mtm -83.84 -13.99 52.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 p -117.44 -35.33 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 94.13 -20.23 48.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -104.25 163.91 12.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -128.92 26.82 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.98 154.06 17.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -134.81 159.01 73.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.177 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.78 -178.2 16.23 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' CG ' HG11 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -133.0 117.52 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.2 mp -98.22 130.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -123.98 118.03 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -108.51 126.71 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 44.85 47.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.466 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 60.7 38.8 95.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -143.75 148.37 35.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -95.6 89.36 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.4 ' H ' ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -75.15 -17.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.21 170.45 16.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.6 -160.31 25.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.05 -62.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.64 -63.8 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.01 -63.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 97.6 m -41.68 -46.13 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -45.32 89.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 102' ' ' LYS . 43.9 ttt180 -67.13 -52.93 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' ARG . 94.4 mt -37.41 -51.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -58.12 -37.51 74.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.0 mmmt -61.47 -61.01 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.4 -34.39 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.1 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -122.33 15.6 10.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.2 tt -112.2 -46.38 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.648 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.29 -43.21 92.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.2 Cg_exo -47.96 -30.23 13.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.2 -46.01 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 52' ' ' VAL . 44.4 t -48.52 -27.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.648 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 17.6 m170 -101.68 30.08 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -124.14 -21.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 p -78.07 -31.79 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.8 OUTLIER -126.69 27.24 6.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.58 169.11 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HA ' ' CE2' ' A' ' 123' ' ' PHE . 19.3 pttp 41.37 34.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -162.46 106.61 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -161.02 171.95 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -53.52 165.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -40.99 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -174.69 146.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.2 115.36 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 123' ' ' PHE . 13.6 p90 -128.76 94.99 3.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -97.73 86.94 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.6 m -155.98 125.96 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.53 136.1 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.5 p -173.19 158.24 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.7 p -172.22 161.97 5.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m 52.92 41.88 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -96.29 92.77 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.78 59.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -97.73 112.43 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p 42.86 42.19 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.09 -179.46 48.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -126.31 -51.8 1.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.42 111.86 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -86.54 -46.34 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -141.66 177.61 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' CD1' ' H ' ' A' ' 14' ' ' THR . 3.0 tp -92.01 140.36 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -131.58 32.2 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' ALA . 4.9 m 33.53 49.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB1' ' ND2' ' A' ' 18' ' ' ASN . . . -50.81 157.73 1.29 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.051 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -42.19 3.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CB ' ' HB1' ' A' ' 71' ' ' ALA . 7.1 p -55.37 -29.97 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.414 ' ND2' ' HB1' ' A' ' 15' ' ' ALA . 70.2 m-80 -68.11 -49.2 62.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.96 -29.17 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.99 -44.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -48.2 -41.2 26.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.29 -42.29 59.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -58.15 -56.71 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 25' ' ' SER . 47.9 pt -48.31 -37.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.462 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.4 m -73.74 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -47.45 -63.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.95 141.96 54.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -63.84 -43.66 95.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 30' ' ' VAL . 66.4 t -142.36 139.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 ' N ' HG11 ' A' ' 29' ' ' VAL . 93.6 t -131.57 130.5 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -117.36 114.64 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -99.08 105.57 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.1 p -115.78 157.5 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' THR . 3.1 ptmm? -124.34 29.1 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LYS . 58.9 p 35.19 51.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -132.07 -45.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 t -98.63 125.78 44.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -47.0 -36.29 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' MET . 9.9 m-85 -44.09 -43.43 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 60.2 m -45.52 -36.9 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 m -70.86 -30.32 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.4 mmm -68.15 -54.56 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.01 62.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.22 -55.79 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -56.75 -40.08 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.16 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -57.95 -49.25 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -47.7 -51.71 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.26 -37.82 81.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 mtp -73.21 -18.87 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 71.92 31.54 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ASN . 99.2 t -100.5 102.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' VAL . 18.5 t-20 -34.58 107.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -116.51 171.95 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HE3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -139.03 108.48 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.4 p -100.27 139.14 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HE3' ' A' ' 55' ' ' LYS . 44.0 t -127.42 114.94 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' CD ' HD12 ' A' ' 61' ' ' LEU . 7.5 mt-10 -80.01 102.85 9.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 98.3 mt -73.04 -54.26 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.93 -40.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 ' CD ' ' A' ' 58' ' ' GLU . 14.8 mt -80.66 -41.49 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 11.8 mt -47.98 125.72 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.46 -37.88 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' CZ ' HD23 ' A' ' 62' ' ' LEU . 6.1 p90 -102.55 39.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -55.58 27.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -49.98 -25.13 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.85 -71.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.4 -29.41 48.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.73 -50.57 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -63.78 -50.21 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 17' ' ' VAL . . . -41.31 -53.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.16 -42.52 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.25 -26.72 63.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.14 -41.75 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtm -72.1 -31.5 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -93.79 -43.28 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.51 -27.09 14.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.61 -175.24 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -134.81 44.93 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.721 ' N ' HH12 ' A' ' 83' ' ' ARG . 50.8 p -90.97 110.11 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.9 m -99.8 152.65 37.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.72 -176.24 12.23 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.351 -0.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.721 HH12 ' N ' ' A' ' 80' ' ' THR . 13.8 mtp85 -129.77 111.66 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 91' ' ' ILE . 5.2 mp -98.36 132.14 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.23 117.99 23.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 HG23 ' CD1' ' A' ' 91' ' ' ILE . 91.7 t -105.35 111.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 55.51 44.44 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.76 40.87 97.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 m -149.01 136.71 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -80.73 120.66 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.458 ' CD1' HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -111.52 -24.47 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 154.52 -176.84 32.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.76 -154.67 27.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.21 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -54.24 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -40.75 -62.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.454 ' CG2' HD12 ' A' ' 106' ' ' LEU . 53.7 m -45.78 -42.66 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.86 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -40.17 74.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.5 mt -53.81 -53.57 50.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -50.25 -45.33 54.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -55.57 -64.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -60.0 -27.11 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.84 51.86 1.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -128.62 -1.76 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.479 ' C ' ' CD2' ' A' ' 106' ' ' LEU . 3.6 tt -101.16 -54.93 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.9 tm? -57.54 -42.54 96.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -47.95 -25.75 6.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.83 -39.84 10.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.82 -54.11 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 107' ' ' LEU . 18.8 m170 -51.13 -50.81 58.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -44.04 -49.05 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.0 t -44.45 -64.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 2.1 p90 -106.8 34.77 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' HIS . 9.4 tp -54.19 169.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -75.87 50.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -90.94 -39.64 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.5 p -132.64 152.96 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.88 98.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -147.77 121.26 9.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -133.83 154.01 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -167.18 146.79 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 1.8 p90 -153.9 163.76 39.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.47 158.39 43.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.8 t -93.82 152.04 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.78 138.64 10.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.73 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.8 t -169.6 165.5 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.3 p -132.25 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 38.25 42.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -78.82 -48.84 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.29 47.69 0.25 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -113.91 140.56 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -134.62 126.13 28.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.93 -134.03 6.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 62.77 46.84 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mp -102.6 38.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.44 175.43 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -40.7 153.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.72 124.12 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.39 22.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m 38.22 53.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.34 160.11 2.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.696 . . . . 0.0 111.103 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 18' ' ' ASN . 9.2 p -38.29 -42.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.42 ' N ' HG12 ' A' ' 17' ' ' VAL . 71.5 m-80 -60.3 -49.84 76.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -51.88 -23.66 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.9 mt -85.95 -45.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.49 -35.3 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.21 -34.05 63.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.5 m -73.62 -49.19 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.461 ' CD1' ' HA2' ' A' ' 88' ' ' GLY . 50.8 pt -64.02 -24.89 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -71.83 -40.72 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.28 -53.9 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -69.23 147.3 51.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -75.64 -47.47 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.11 125.35 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 76.3 t -113.44 109.94 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.61 104.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 43.6 m-85 -94.24 110.76 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -112.58 165.56 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -133.39 31.08 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.2 p 32.4 44.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -123.8 -46.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.2 165.83 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -86.71 -32.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 21.3 m-85 -55.29 -17.67 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.4 p -55.67 -25.64 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 t -91.57 -37.15 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 8.2 ptm -61.04 -41.76 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -68.62 -59.3 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.053 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' HE2' ' CG2' ' A' ' 56' ' ' VAL . 58.9 mttt -52.89 -36.99 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.44 -37.13 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 tp -52.18 -54.15 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -68.12 -36.73 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -54.66 -55.13 32.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.33 -28.46 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 mtp -80.03 -11.21 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 63.59 38.52 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -110.6 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.0 m-20 -34.56 116.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -120.09 171.31 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG2' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -96.87 130.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 38.8 t -130.77 99.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 5.9 mt-10 -74.19 111.04 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.8 mt -77.48 -45.68 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 12.9 t70 -39.07 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 58' ' ' GLU . 1.2 mm? -93.2 -46.89 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' CG1' ' A' ' 57' ' ' VAL . 23.8 mt -48.3 153.82 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.57 ' CG ' ' CE1' ' A' ' 64' ' ' TYR . 13.2 pt-20 -77.99 -26.84 48.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CE1' ' CG ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.15 19.41 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.88 4.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.08 -24.74 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -79.47 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.56 -24.55 47.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -61.75 -49.94 74.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.419 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 33.4 t0 -70.16 -47.03 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD13 ' CD2' ' A' ' 32' ' ' PHE . 29.7 mt -65.13 -53.45 45.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -46.72 -21.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 70' ' ' ASP . 18.0 mttm -85.52 -45.09 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.1 mtm -69.62 -15.69 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 p -114.83 -39.96 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.38 57.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -108.64 158.07 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 48.2 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.429 ' HG1' ' N ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -111.36 149.68 30.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.1 m -133.15 154.92 81.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.78 178.76 24.41 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -128.32 117.0 20.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.431 ' CG2' HD12 ' A' ' 91' ' ' ILE . 5.2 mp -97.89 128.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 20.0 m-85 -121.56 117.92 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.2 t -111.78 108.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t30 59.95 44.61 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . 62.8 43.87 98.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.1 m -148.03 143.13 27.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -90.06 79.39 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -62.05 -16.1 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.49 11.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.46 -155.32 5.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.52 -61.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.4 m -45.36 -47.28 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.59 -44.18 89.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.94 -42.85 90.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -49.16 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' N ' ' HB2' ' A' ' 106' ' ' LEU . 1.9 t60 -39.94 -59.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -43.29 -63.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 5.1 mm-40 -65.21 -15.85 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.18 43.62 5.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 1.8 mttp -126.17 23.42 7.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.3 tt -110.36 -56.18 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.694 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.99 -43.61 99.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.932 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -48.02 -34.4 23.01 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.48 -45.77 13.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -42.81 -55.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.694 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 39.2 m170 -50.1 -48.04 53.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.458 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 16.2 mt-30 -51.25 -16.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 0.7 OUTLIER -72.29 -43.91 63.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.599 ' CD2' ' SG ' ' A' ' 113' ' ' CYS . 0.1 OUTLIER -134.55 42.24 2.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 112' ' ' GLN . 11.2 mt -56.09 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.6 tptm -34.37 149.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.12 52.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -160.16 176.64 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -69.9 83.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -170.04 174.55 5.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -125.92 145.64 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.92 160.77 31.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -110.53 171.04 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -150.5 144.14 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.2 m -128.31 -52.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.19 99.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.95 2.19 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 51.2 m -71.35 176.08 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 45.6 t -135.46 110.11 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 m -127.99 109.84 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -125.12 -57.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 92.49 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -122.09 117.35 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t 37.53 41.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.96 112.13 3.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.1 m -92.22 162.29 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.0 92.18 8.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.93 176.2 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -42.93 146.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.47 115.38 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -86.77 24.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' ALA . 18.4 m 35.6 37.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . . . -44.53 165.6 0.14 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.73 -41.99 3.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 18' ' ' ASN . 14.3 p -52.61 -42.48 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.43 ' N ' HG11 ' A' ' 17' ' ' VAL . 64.1 m-80 -54.32 -43.36 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -59.53 -35.0 73.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -45.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.32 -35.47 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.17 -32.35 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 m -66.02 -42.02 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 pt -66.33 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 p -61.42 -49.88 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.83 -60.86 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -66.66 154.2 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.2 m -81.1 -44.08 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -138.4 125.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 32' ' ' PHE . 60.6 t -118.94 122.98 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 mt -113.13 113.94 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 30' ' ' VAL . 61.8 m-85 -98.84 110.83 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 p -113.91 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 35' ' ' THR . 12.4 ptmt -135.04 36.25 3.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 34' ' ' LYS . 82.3 p 28.25 47.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -135.0 -43.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.97 126.73 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.4 m -44.22 -52.76 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' MET . 25.7 m-85 -41.77 -37.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' TYR . 91.2 m -36.3 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' TYR . 3.1 t -86.49 -39.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.9 ptm -52.19 -43.12 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -57.76 -51.84 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.09 -54.44 45.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -54.27 -45.94 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -48.08 -71.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -54.64 -49.5 70.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.19 -44.31 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -67.92 -33.96 75.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 26.9 mtm -79.16 -7.84 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.14 32.91 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.6 t -103.65 99.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 29.0 t-20 -34.93 113.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.41 170.68 8.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -133.28 105.24 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -98.95 136.28 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.4 t -130.91 99.99 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.8 mp0 -74.19 127.42 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.66 -45.63 8.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.84 -17.83 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -98.38 -32.21 11.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.3 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.28 -37.26 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -104.43 36.69 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.24 -47.35 55.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -52.74 -32.78 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.96 -70.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.76 -19.46 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.29 -45.97 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' OD2' ' CE ' ' A' ' 74' ' ' LYS . 31.4 t0 -66.68 -52.38 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.14 -60.2 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' CG ' ' A' ' 32' ' ' PHE . 36.8 mt -44.16 -53.19 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CD1' ' CG ' ' A' ' 79' ' ' ARG . 3.3 t80 -47.97 -53.84 14.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 17.0 mttm -58.76 -16.33 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.0 mtm -93.82 -35.79 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.0 p -94.15 -61.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.14 10.7 51.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -121.54 -42.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' CG ' ' CD1' ' A' ' 73' ' ' TYR . 10.5 mtm180 70.21 46.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.9 p -119.37 114.6 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.0 m -97.16 152.27 38.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.2 Cg_endo -69.74 -179.61 19.61 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.297 -0.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -136.76 115.03 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.24 139.68 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -134.54 118.27 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.414 HG11 ' CB ' ' A' ' 109' ' ' LEU . 93.4 t -108.08 124.25 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 49.88 32.06 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.98 41.66 39.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.8 m -149.87 133.38 16.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -77.82 87.81 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -23.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.23 155.14 7.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.96 -173.1 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 82' ' ' PRO . . . -49.71 -59.1 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.7 m -56.97 -52.37 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.87 -65.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 83.2 m -40.0 -46.53 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -56.41 -46.41 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -62.8 -48.84 77.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -43.49 -56.05 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 84.4 t60 -48.16 -47.64 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -65.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.88 -27.41 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.01 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -127.2 2.96 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 3.8 tt -102.29 -55.56 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.5 tm? -56.4 -42.97 98.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.3 Cg_exo -48.01 -30.3 13.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CB ' HG11 ' A' ' 86' ' ' VAL . 7.5 mt -91.84 -30.79 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.91 -47.41 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 107' ' ' LEU . 25.2 m170 -61.16 -40.9 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.99 -34.26 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.64 -42.22 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 7.1 p90 -130.89 82.24 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.404 ' C ' ' HG2' ' A' ' 116' ' ' LYS . 12.7 mt -130.26 -41.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 117' ' ' LYS . 15.2 ptmt 40.17 40.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' LYS . 37.2 mmtt -35.28 -56.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 p -61.78 155.26 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -60.31 147.53 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.99 140.96 28.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -56.87 89.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -173.18 150.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.2 78.7 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.4 130.1 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.4 t -78.54 113.04 16.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.27 84.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 93.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.743 2.296 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.2 t -156.33 132.07 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.6 m -74.34 118.35 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -73.06 125.77 28.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -85.52 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.42 -130.22 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -40.3 107.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -100.37 92.57 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.92 -172.09 19.6 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.7 p -160.59 164.34 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . 11.4 tp -34.96 105.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -82.21 49.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -88.12 22.47 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -113.27 171.89 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.93 23.55 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 m -107.77 37.41 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.58 160.39 0.59 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.679 . . . . 0.0 111.142 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -41.03 4.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.35 -38.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -59.82 -41.9 92.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -58.13 -34.49 70.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.43 -44.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -56.42 -40.74 75.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.67 -38.19 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -63.76 -51.61 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.4 pt -57.62 -32.92 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -71.62 -56.58 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -57.38 -59.45 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -60.59 165.86 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' C ' HG21 ' A' ' 29' ' ' VAL . 5.2 t -97.64 -31.87 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG21 ' C ' ' A' ' 28' ' ' CYS . 94.8 t -152.52 122.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -122.67 126.89 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.91 107.02 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.49 104.46 17.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 24.2 p -118.89 153.87 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 81' ' ' VAL . 5.3 ptmt -116.14 137.97 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.0 p -61.57 -32.89 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -31.3 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.52 164.07 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' CYS . 3.5 m -94.48 -44.0 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -41.0 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 33' ' ' SER . 29.4 p -46.99 -39.35 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 t -74.9 -41.86 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.1 mmm -43.58 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.0 -44.19 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -61.9 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.97 -43.56 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 98' ' ' HIS . 50.2 tp -54.46 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.97 -56.32 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -43.14 -45.91 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.17 -35.11 78.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.408 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -76.34 -13.93 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 t30 69.43 29.42 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -96.85 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -38.99 109.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -122.72 172.17 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 111.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.46 139.62 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.8 t -127.98 106.89 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' CB ' HD13 ' A' ' 61' ' ' LEU . 16.5 mp0 -71.98 101.22 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.01 -48.61 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.89 -36.47 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 58' ' ' GLU . 81.2 mt -79.29 -42.69 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.07 117.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -44.32 -41.98 6.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -98.55 36.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.04 38.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -28.5 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -71.51 -71.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.46 -25.06 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -64.05 -43.21 96.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -68.38 -53.2 25.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 -48.76 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.5 mt -65.58 -37.77 87.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' GLY . 21.7 t80 -61.09 -29.56 69.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -80.04 -41.41 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.9 mtm -75.48 -23.62 56.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.402 ' CG2' ' NH1' ' A' ' 83' ' ' ARG . 11.0 p -103.25 -35.68 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 100.97 -29.21 13.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.02 171.03 10.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -112.42 46.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.9 p -89.16 152.71 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 23.6 m -153.86 153.61 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.1 Cg_endo -69.76 -178.56 16.98 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 1.2 mtp-105 -139.61 124.12 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.9 142.9 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.35 117.84 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.2 t -110.4 128.25 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 49.45 41.28 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 62.12 41.66 99.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -150.85 144.15 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.174 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -84.37 126.16 32.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.56 -29.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.01 168.15 29.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.25 -161.54 32.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.7 43.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -68.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.97 -58.36 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.452 ' CG2' HD12 ' A' ' 106' ' ' LEU . 98.8 m -46.59 -41.67 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 1.7 t60 -62.44 -40.54 96.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -71.73 -42.21 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.1 mt -49.71 -51.59 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.0 t60 -50.06 -44.52 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.21 -53.2 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.75 -29.17 66.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.05 40.57 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -126.22 12.58 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 97' ' ' THR . 8.5 tt -108.94 -54.95 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.61 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.97 -44.49 96.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.96 -27.22 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 mt -95.15 -28.43 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' A' ' 106' ' ' LEU . 58.1 t -67.65 -33.24 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.589 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 39.9 m170 -85.06 24.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -116.14 -61.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.3 -65.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 1.6 p90 -86.46 31.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' LYS . 12.4 tp -78.64 161.61 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 51.1 pttt -35.26 -36.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 115' ' ' LEU . 19.3 ttpt -79.07 46.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 p -174.45 172.0 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -45.19 125.66 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -66.5 156.73 34.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -155.21 133.85 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -97.66 163.26 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -170.25 152.55 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -129.68 168.4 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 95.5 p -153.12 171.59 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -152.53 74.09 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 176.27 6.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -167.47 163.39 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -158.45 174.3 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -162.47 139.75 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -171.63 151.44 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.58 -45.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -48.57 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -160.78 122.59 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.79 164.72 33.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.1 m -141.93 176.75 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.55 116.15 15.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -80.37 -60.68 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -84.85 170.67 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.85 100.4 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.67 22.81 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 m 37.91 43.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.78 156.45 0.53 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 111.07 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -40.09 5.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 4.4 p -49.09 -40.94 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.425 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 73.9 m-20 -59.37 -43.35 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -56.74 -33.85 66.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mt -75.32 -51.78 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -43.65 -34.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.03 -41.01 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -61.16 -43.8 98.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.51 -33.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -72.09 -50.33 29.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.35 -54.97 21.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.1 -178.92 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -105.87 -48.66 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.0 t -132.8 113.84 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 32' ' ' PHE . 96.0 t -110.94 117.3 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.1 mt -105.64 99.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.7 m-85 -90.54 104.26 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 9.7 p -128.44 173.93 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HD3' ' CG2' ' A' ' 81' ' ' VAL . 1.2 ptmm? -123.8 -174.68 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 61' ' ' LEU . 40.0 p -115.75 48.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 4.8 m -127.8 -28.15 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.51 169.58 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -91.58 -30.76 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.423 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 76.4 m-85 -56.03 -14.54 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.04 -46.61 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -71.3 -27.65 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.3 mmm -57.47 -54.01 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -60.58 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -52.74 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -58.09 -47.04 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.65 -64.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.68 -44.32 85.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -51.95 -47.78 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -63.11 -36.37 83.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.29 -15.79 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.77 32.46 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -103.54 106.23 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.4 m-20 -36.47 113.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -123.61 165.88 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -131.47 105.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.38 144.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 88.5 t -137.89 106.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -76.32 104.91 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.3 mt -70.69 -33.14 70.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.9 -45.36 94.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 35' ' ' THR . 3.3 mp -68.31 -32.77 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.19 154.29 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.16 -53.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -88.47 28.37 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.2 -48.23 47.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -52.68 -20.42 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -80.41 -70.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -55.76 -24.2 33.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.22 -38.98 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' CG ' ' HE3' ' A' ' 74' ' ' LYS . 17.6 t0 -69.86 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.87 -48.49 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 83' ' ' ARG . 26.4 mt -62.16 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.6 t80 -53.2 -29.47 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HE3' ' CG ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -77.43 -49.23 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.8 mtm -51.3 -20.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 77' ' ' GLY . 8.4 p -112.16 -60.26 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' N ' ' OG1' ' A' ' 76' ' ' THR . . . 122.76 8.38 6.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -156.21 160.54 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.62 52.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -100.6 140.69 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.494 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -135.55 159.68 70.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.154 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 72' ' ' LEU . 10.4 mtp-105 -127.29 112.94 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.38 132.03 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.46 118.17 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.59 108.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.05 30.83 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.67 35.18 29.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.9 m -137.49 138.71 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -87.43 73.78 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.57 -9.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.86 -173.76 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.59 -160.8 28.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -58.37 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -54.46 -65.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.9 -61.43 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 98.0 m -47.22 -40.62 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.74 -41.74 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -65.55 -41.15 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.1 mt -50.07 -59.32 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -45.93 -42.92 13.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -62.02 -61.17 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.79 -22.22 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.58 46.0 3.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -127.51 10.27 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 106' ' ' LEU . 2.9 tt -110.37 -52.06 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.0 OUTLIER -58.83 -43.33 97.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.3 Cg_exo -47.93 -20.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.98 -49.48 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -43.54 -37.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 30.5 m170 -86.16 39.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -132.78 -33.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.66 -57.73 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.99 14.59 15.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.0 tp -52.96 171.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -44.07 -35.9 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.29 39.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.94 167.4 5.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.85 122.58 10.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -113.87 163.29 15.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -173.59 151.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -133.39 171.98 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -158.26 139.92 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -108.25 153.16 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.7 t -157.57 167.46 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.15 122.54 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.4 m -138.88 148.38 43.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.1 p -120.2 167.34 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -61.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -64.68 82.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.03 23.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -130.55 110.27 11.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.391 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -119.78 148.76 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 89.78 1.8 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -129.65 113.2 14.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -83.88 89.94 7.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -132.88 160.28 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -39.92 145.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' THR . 1.6 tt -42.35 -38.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' THR . . . 37.77 27.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.0 m 34.06 54.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' CB ' ' HD2' ' A' ' 16' ' ' PRO . . . -65.91 166.77 14.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.075 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.8 -45.43 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 3.3 p -49.65 -43.0 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.6 m-80 -61.63 -39.79 92.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -61.19 -23.15 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.7 mt -90.51 -37.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.85 -32.28 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.0 -37.56 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.3 m -64.02 -51.27 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.3 pt -59.71 -23.39 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.5 t -78.31 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.07 -55.92 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -72.85 142.81 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.11 -56.24 9.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -124.85 131.84 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.563 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 72.9 t -127.45 110.51 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -96.54 137.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 62.7 m-85 -127.21 111.59 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 1.8 t -121.16 172.56 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -126.24 12.05 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p 49.27 34.56 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -115.86 -41.87 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.18 164.18 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -80.99 -30.94 34.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -49.26 -32.42 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.6 p -56.78 -35.73 69.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -73.21 -20.8 60.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mmm -76.65 -56.32 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.28 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -50.57 -62.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.0 mptt -49.09 -53.06 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.97 -67.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -59.33 -42.79 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -48.02 -54.21 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.66 -29.65 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.6 mtp -78.07 -7.0 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 m120 56.51 34.9 25.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.4 t -104.01 101.32 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.5 m120 -38.35 109.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -117.15 172.04 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -131.77 105.69 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.45 143.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 20.6 t -135.93 119.9 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' CB ' HD23 ' A' ' 61' ' ' LEU . 3.9 mp0 -90.53 104.99 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.02 -46.23 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -51.03 -44.61 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -70.53 -40.36 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.6 160.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.78 -44.67 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -98.73 30.89 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.7 -54.75 10.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -45.1 -26.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -78.02 -70.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.37 -14.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -74.27 -45.54 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -75.08 -46.09 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.12 -47.42 23.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.19 -50.41 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -44.43 -31.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -74.8 -45.48 43.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 mtm -75.58 -14.16 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 p -107.02 -25.03 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 70.91 21.87 78.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.96 -178.22 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -128.67 40.92 3.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -97.91 112.33 24.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.507 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -108.54 158.82 32.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 179.86 21.16 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.363 -0.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.36 112.1 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.45 ' CG2' HD13 ' A' ' 91' ' ' ILE . 5.3 mp -103.88 130.86 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -125.83 119.7 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.07 106.82 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 67.61 32.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.81 33.26 51.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -139.69 146.15 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -89.15 85.78 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.45 HD13 ' CG2' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -71.27 -19.5 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.88 176.83 18.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.37 -151.4 24.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.79 -65.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -50.46 -70.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -38.54 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 m -41.88 -46.45 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.1 -39.42 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -66.37 -33.71 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 89.7 mt -56.5 -58.84 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -43.06 -46.98 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -59.55 -46.22 89.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.4 -18.06 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.69 49.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' HD3' ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -109.67 30.35 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.61 -42.15 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.614 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -69.73 -43.93 22.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.95 -18.25 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.6 -44.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.08 -29.53 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.542 ' CE1' HD12 ' A' ' 107' ' ' LEU . 34.5 m170 -89.69 22.38 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -124.49 -29.53 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.6 p -64.84 -53.43 46.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 2.5 p90 -89.74 22.9 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 116' ' ' LYS . 6.4 tp -86.26 177.21 7.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.1 tptt -33.37 121.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -80.23 103.69 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.9 m -63.94 -179.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -92.46 48.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -90.95 169.14 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -84.74 148.12 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -154.76 140.84 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -120.92 123.34 42.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -83.68 148.24 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -172.75 139.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 154.06 111.79 0.44 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 156.91 62.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.5 t -120.95 112.54 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -168.17 171.14 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.699 ' N ' HD21 ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.588 0.709 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.79 37.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' HB1' ' A' ' 71' ' ' ALA . 2.7 p -70.15 -46.43 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.699 HD21 ' N ' ' A' ' 15' ' ' ALA . 4.2 p30 -61.17 -38.83 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.63 -31.97 68.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.553 HD11 ' HD1' ' A' ' 68' ' ' PHE . 27.6 mt -76.53 -47.07 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.58 -39.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.22 -36.97 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -62.64 -47.55 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.994 HD12 ' HA2' ' A' ' 88' ' ' GLY . 25.4 pt -68.87 -28.97 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -69.96 -48.3 58.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.67 -57.3 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -61.77 179.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 -39.37 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -147.93 119.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 95.8 t -120.76 129.0 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.437 HD11 ' CE2' ' A' ' 47' ' ' PHE . 97.1 mt -113.34 99.62 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 64.2 m-85 -88.36 104.51 16.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 6.7 p -138.57 170.58 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' CG ' HG21 ' A' ' 81' ' ' VAL . 9.2 ptpt -118.19 -174.5 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -111.65 41.6 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.5 p -125.25 -6.33 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.76 165.17 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.3 p -91.4 -43.89 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.438 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 53.7 m-85 -48.45 -22.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 19.8 p -49.51 -37.44 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -77.07 -38.2 53.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 mmm -47.35 -57.68 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.24 -51.87 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HG21 ' A' ' 56' ' ' VAL . 9.5 mttm -56.85 -48.18 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.73 -38.26 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.32 -58.04 10.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 31' ' ' ILE . 74.4 m-85 -65.98 -51.72 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -45.34 -47.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.25 -32.54 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.6 mtp -77.8 -8.69 58.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.56 32.28 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -104.27 105.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -39.63 112.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -117.89 166.22 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -134.58 105.74 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -98.58 154.15 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -142.11 119.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -86.05 111.48 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.6 mt -78.63 -39.07 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -48.19 -45.23 33.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -75.96 -34.32 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 59' ' ' LEU . 36.0 mt -60.11 129.11 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -54.74 -45.2 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.75 38.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.43 -49.85 42.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -51.12 -20.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.85 -71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.553 ' HD1' HD11 ' A' ' 20' ' ' ILE . 87.2 m-85 -54.87 -15.65 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.41 -43.76 72.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.44 -54.86 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -39.44 -45.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.3 -48.68 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -47.65 -26.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -84.24 -34.19 23.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 mtm -77.24 -18.1 57.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 p -112.31 -36.14 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 -6.25 63.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -130.91 176.62 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -130.2 49.95 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.05 155.26 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -136.8 159.21 71.14 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 111.101 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 -179.19 18.49 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.317 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.82 113.07 13.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.15 129.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -122.4 118.46 28.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.55 121.95 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.09 40.45 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.994 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 59.44 26.12 61.51 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.3 m -134.73 124.2 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -69.51 75.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -51.42 -20.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.65 -170.88 26.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.93 -159.11 29.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.64 -58.06 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.078 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.39 -58.52 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.747 ' HA ' HD12 ' A' ' 100' ' ' LEU . 87.5 m -49.25 -39.73 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.52 -44.05 92.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -62.6 -45.08 94.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 97' ' ' THR . 29.8 mt -49.12 -61.24 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -41.59 -41.12 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -63.77 -49.9 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.58 -5.31 52.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.06 29.94 63.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -103.01 13.3 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 97' ' ' THR . 6.3 tt -118.62 -39.39 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -62.76 -43.77 84.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.1 Cg_exo -48.01 -26.73 7.97 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.67 -41.29 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 106' ' ' LEU . 97.7 t -53.35 -29.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' NE2' HD11 ' A' ' 107' ' ' LEU . 3.0 m-70 -95.38 27.44 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.97 -45.28 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.628 0.728 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.78 -45.79 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -48.21 -39.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 92.4 m-20 -60.18 -47.09 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -57.57 -23.4 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.5 mt -85.78 -41.41 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.12 -36.18 74.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' THR . 9.9 pt-20 -70.93 -32.74 69.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 58.7 m -72.24 -46.66 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.745 HD12 ' HA2' ' A' ' 88' ' ' GLY . 39.8 pt -68.73 -34.28 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -70.07 -42.74 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -75.67 -43.86 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.22 160.62 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.33 -53.57 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.6 t -127.52 140.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 96.2 t -134.1 123.23 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 56' ' ' VAL . 87.4 mt -112.13 109.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 86.5 m-85 -98.7 112.63 24.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -120.25 162.55 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.5 ptmm? -122.78 31.18 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.0 p 33.69 49.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 t -133.74 -44.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 m -90.14 165.77 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 p -89.28 -35.27 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -53.83 -18.66 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' C ' ' HZ2' ' A' ' 44' ' ' LYS . 31.2 p -52.07 -40.86 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.1 t -73.92 -43.36 58.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' THR . 36.5 mtp -43.05 -49.98 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.58 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.58 ' HE3' HG21 ' A' ' 56' ' ' VAL . 32.9 mttp -51.61 -54.79 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.73 -44.34 81.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.25 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.32 -45.09 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -47.35 -50.46 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.85 -27.65 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 mtp -80.83 -12.12 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 65.83 38.03 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.7 t -110.38 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 68.8 m-80 -34.42 116.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -118.63 172.18 7.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -136.66 105.81 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.58 HG21 ' HE3' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -92.13 145.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 42.2 t -139.83 109.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -77.93 115.07 17.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 62' ' ' LEU . 83.2 mt -81.93 -53.15 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -37.58 -38.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -81.49 -36.41 29.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 59' ' ' LEU . 17.2 mt -53.98 126.64 23.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.89 -43.52 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -98.68 40.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.32 -53.8 36.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -49.09 -23.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.16 -70.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -54.07 -15.71 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.66 -47.34 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -64.88 -51.35 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.22 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' MET . 30.4 mt -62.52 -54.16 44.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HB2' ' A' ' 79' ' ' ARG . 5.2 t80 -41.27 -34.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -79.02 -36.81 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' LEU . 14.9 mtm -83.78 -11.17 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.501 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 32.9 p -111.2 -28.53 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.56 29.92 8.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 80' ' ' THR . 3.1 tp10 -122.56 -43.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 12.7 ttp85 69.89 47.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -152.49 167.47 28.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.503 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -137.34 159.29 70.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 175.91 34.67 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -120.85 116.33 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.17 139.56 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CZ ' HG22 ' A' ' 76' ' ' THR . 36.5 m-85 -133.68 119.14 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.0 t -114.71 122.45 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 54.88 37.17 28.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.85 41.93 93.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.4 m -149.7 137.98 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 64.6 t80 -82.49 92.09 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.659 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -76.9 -19.67 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.22 -159.85 28.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.37 -161.64 11.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -55.17 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.36 -63.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 100' ' ' LEU . 90.9 m -44.86 -41.96 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -70.51 -47.4 60.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 97' ' ' THR . 36.5 mt -44.04 -50.46 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -57.46 -37.04 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.86 -60.22 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CB ' ' HE2' ' A' ' 105' ' ' LYS . 4.5 mm-40 -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 96.63 19.16 28.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.426 ' HE2' ' CB ' ' A' ' 103' ' ' GLU . 9.9 mtmt -92.86 9.94 33.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 97' ' ' THR . 5.0 tt -112.41 -42.8 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.94 -29.34 11.66 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -88.68 -46.68 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.96 -41.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.49 ' NE2' ' CD1' ' A' ' 107' ' ' LEU . 6.7 m-70 -64.86 -48.27 74.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.02 -35.14 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.78 -47.98 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 9.8 p -46.21 -44.34 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.497 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.8 m-20 -54.86 -48.38 73.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -52.88 -38.8 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 68' ' ' PHE . 41.0 mt -69.58 -53.22 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -41.6 -35.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.17 -40.19 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 87.0 m -63.06 -40.64 98.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.719 HD12 ' HA2' ' A' ' 88' ' ' GLY . 37.8 pt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -75.92 -44.94 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -71.52 -54.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.89 152.66 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -78.52 -33.83 47.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -155.55 124.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -116.75 130.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.74 100.22 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 48.5 m-85 -88.57 106.69 18.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.4 m -115.34 170.82 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.8 ptmm? -134.16 29.05 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.541 HG21 HD21 ' A' ' 61' ' ' LEU . 18.9 p 34.75 47.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -123.19 -43.4 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.22 166.9 12.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 41' ' ' THR . 36.2 m -88.0 -23.08 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 9.8 m-85 -68.77 -17.48 64.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 19.2 p -58.67 -23.5 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' SER . 1.5 t -95.01 -35.34 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 39' ' ' TYR . 13.6 ptm -68.14 -30.76 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.94 77.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.3 mppt? -64.34 -50.78 66.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -49.92 -46.53 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -48.95 -59.32 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -64.13 -37.85 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -52.65 -56.16 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.17 -28.82 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.411 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 36.0 mtp -78.06 -7.19 56.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.47 27.29 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.6 t -97.45 94.71 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 49.9 t30 -35.17 114.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -117.82 171.9 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.98 105.93 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.29 135.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 39.5 t -132.56 99.9 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' CB ' HD23 ' A' ' 61' ' ' LEU . 38.1 mm-40 -78.13 115.06 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.0 mt -79.69 -40.68 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 8.8 t70 -48.13 -39.78 21.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -82.56 -24.17 34.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 59' ' ' LEU . 21.4 mt -67.11 154.94 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.68 -38.49 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -102.25 39.27 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.3 -59.64 7.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.19 -24.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -74.44 -72.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 20' ' ' ILE . 17.4 m-85 -55.84 -25.9 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.78 -40.76 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 74' ' ' LYS . 37.8 t0 -74.49 -56.74 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 17' ' ' VAL . . . -47.45 -32.91 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.68 -41.92 62.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -52.68 -27.52 17.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -76.88 -53.35 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.1 mtm -55.54 -39.12 70.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 p -89.79 -49.35 6.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.13 14.41 24.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -161.31 166.14 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -110.62 50.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -102.68 156.0 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -146.81 158.46 45.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 111.115 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.75 177.02 30.28 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.365 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -125.43 112.05 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.55 132.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.33 120.57 28.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.473 HG23 HD12 ' A' ' 91' ' ' ILE . 73.2 t -108.34 129.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.74 35.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.719 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.75 47.34 48.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.4 m -155.15 126.02 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -71.65 107.95 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -97.37 -16.46 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.0 174.96 18.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.09 -162.71 37.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -54.81 -35.07 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -75.89 -69.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -43.22 -55.29 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.48 ' HA ' HD12 ' A' ' 100' ' ' LEU . 54.9 m -51.0 -41.38 59.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.531 ' CE1' ' HE3' ' A' ' 102' ' ' LYS . 2.4 t60 -62.07 -40.23 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -67.58 -53.19 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 97' ' ' THR . 65.5 mt -39.11 -57.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.411 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 17.6 t60 -46.4 -41.65 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HE3' ' CE1' ' A' ' 98' ' ' HIS . 28.1 mttt -67.83 -38.59 83.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.52 6.16 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 64.58 25.07 69.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -97.6 0.83 48.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.583 HD23 HG23 ' A' ' 110' ' ' VAL . 6.2 tt -107.06 -39.08 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -59.97 -43.84 95.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.92 -23.56 4.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.403 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.69 -44.04 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.583 HG23 HD23 ' A' ' 106' ' ' LEU . 94.6 t -46.61 -39.23 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.649 ' CE1' HD11 ' A' ' 107' ' ' LEU . 2.1 m-70 -74.86 -59.58 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' HIS . 7.3 mm100 -34.4 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' HIS . 15.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.537 0.684 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' HB2' ' A' ' 71' ' ' ALA . 53.6 Cg_endo -69.75 -49.31 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.66 -34.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.5 -23.41 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HD1' ' A' ' 68' ' ' PHE . 57.0 mt -85.55 -48.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -46.65 -33.45 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -72.89 -41.39 64.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -61.95 -40.56 95.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.4 pt -77.31 -16.32 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -78.77 -53.6 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.56 -39.18 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -89.2 -177.9 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.55 -36.58 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.93 122.35 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 32' ' ' PHE . 84.7 t -123.74 110.17 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.8 mt -99.62 107.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 30' ' ' VAL . 38.2 m-85 -97.85 109.07 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 p -118.64 167.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 81' ' ' VAL . 9.9 pttt -135.03 37.26 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.903 ' CG2' HD21 ' A' ' 61' ' ' LEU . 45.4 p 30.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 t -128.31 -40.13 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.33 128.92 44.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.5 m -51.38 -40.88 60.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -46.66 -21.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -46.67 -47.03 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -71.64 -35.93 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -53.22 -42.07 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.58 -59.25 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -48.52 -44.19 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -70.83 -46.24 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.4 tp -42.92 -60.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -63.88 -44.42 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.37 -51.53 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.65 -36.67 84.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 mtp -75.6 -7.01 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 58.73 35.67 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.8 t -104.69 101.69 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.4 t-20 -35.26 112.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.48 170.45 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -135.84 105.8 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.07 130.33 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 47.3 t -126.06 99.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.877 ' HB3' HD23 ' A' ' 61' ' ' LEU . 60.9 mt-10 -68.99 127.59 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 68' ' ' PHE . 46.4 mt -95.2 -46.44 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -21.05 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.903 HD21 ' CG2' ' A' ' 35' ' ' THR . 2.8 mm? -91.66 -35.87 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.15 164.39 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.43 -29.97 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -109.89 33.56 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.62 -46.92 93.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -49.66 -25.78 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -79.27 -72.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HD1' HD11 ' A' ' 20' ' ' ILE . 15.9 m-85 -50.98 -18.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -36.87 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.04 -45.59 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -57.39 -34.34 68.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -76.84 -49.25 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 16.4 t80 -47.31 -27.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -77.31 -50.34 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 mtm -60.53 -24.46 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.408 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 11.7 p -104.49 -27.44 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 86.27 -16.93 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.02 157.06 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD ' ' A' ' 79' ' ' ARG . 2.3 ppt_? -100.91 39.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.7 p -94.08 120.7 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.769 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -114.2 159.08 37.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.73 -178.51 16.84 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.365 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -128.28 112.97 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.35 133.51 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HZ ' HG22 ' A' ' 76' ' ' THR . 41.8 m-85 -128.62 120.14 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 HD12 ' A' ' 91' ' ' ILE . 55.1 t -103.67 120.19 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 50.96 36.51 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 72.13 42.97 49.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.99 141.05 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -84.4 105.35 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.784 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -94.53 -17.76 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.19 161.97 9.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.04 -169.03 30.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -41.7 -66.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -44.56 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -44.37 -64.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 14.7 m -40.65 -43.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -63.81 -45.32 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.67 -44.29 90.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 97' ' ' THR . 95.3 mt -47.7 -50.93 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -57.34 -41.17 79.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.93 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.86 -31.34 71.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.8 51.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -130.09 10.15 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.1 tt -109.11 -49.59 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -58.19 -43.84 98.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.6 Cg_exo -48.0 -21.37 2.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.28 -44.02 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.8 t -46.38 -41.01 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.59 ' NE2' HD11 ' A' ' 107' ' ' LEU . 3.4 m-70 -73.71 -40.9 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -48.59 -21.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.708 ' N ' HD21 ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.97 37.29 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.5 p -71.35 -49.94 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.708 HD21 ' N ' ' A' ' 15' ' ' ALA . 4.1 p30 -54.72 -44.6 73.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -51.97 -34.18 41.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mt -80.39 -43.16 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 41.3 mt-30 -49.95 -39.19 39.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -41.99 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 25' ' ' SER . 32.1 pt -60.94 -36.12 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 m -72.24 -54.28 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.0 -66.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -61.09 153.96 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -73.58 -56.05 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -133.74 125.97 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.73 125.89 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' HB ' HG23 ' A' ' 56' ' ' VAL . 26.7 mt -115.32 115.7 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -101.49 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -120.61 149.56 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.879 ' HG2' HG21 ' A' ' 81' ' ' VAL . 12.5 pttt -116.33 33.69 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 57.2 p 33.61 46.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -127.67 -45.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.3 t -90.14 137.57 32.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -58.43 -39.89 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 40.6 m-85 -46.7 -22.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' THR . 10.3 p -48.7 -44.53 38.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 3.5 t -72.65 -31.05 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtp -63.33 -41.32 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -57.27 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HE2' HG21 ' A' ' 56' ' ' VAL . 56.2 mttt -57.5 -53.55 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -54.22 -43.03 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 tp -52.69 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -49.66 -46.23 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -49.16 -40.05 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.21 -35.8 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.58 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 13.4 mtm -74.02 -7.01 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 59.87 33.99 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASN . 71.5 t -103.25 97.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.0 t-20 -34.24 110.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -118.91 172.14 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -136.24 105.92 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 31' ' ' ILE . 1.2 p -98.26 145.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.5 t -133.24 111.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -78.99 108.69 12.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.606 HD23 HD12 ' A' ' 62' ' ' LEU . 38.0 mt -76.29 -49.71 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -45.41 -33.08 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.48 -26.15 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 59' ' ' LEU . 13.8 mt -64.05 120.46 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.24 -35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -105.49 36.28 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.12 98.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.19 -21.23 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.9 -67.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -62.77 -44.47 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.13 -47.73 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.63 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 30.5 mt -62.38 -57.2 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -40.04 -27.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.5 mtpt -78.92 -48.11 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.6 mtm -70.92 -19.41 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.699 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 18.1 p -104.0 -31.48 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 -30.19 7.66 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -130.78 152.21 50.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -89.13 50.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.5 p -95.74 140.95 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.879 HG21 ' HG2' ' A' ' 34' ' ' LYS . 3.2 m -137.51 154.42 75.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.716 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.74 177.35 29.12 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.372 -0.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -127.59 114.73 17.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.06 143.35 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.699 ' HZ ' HG22 ' A' ' 76' ' ' THR . 25.1 m-85 -141.83 119.21 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.23 113.35 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 62.79 26.53 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 43.44 10.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.51 130.74 13.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -75.74 90.52 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -74.72 -17.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.73 166.03 11.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.85 -161.06 8.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -54.93 -63.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -47.39 -66.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.43 -58.56 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.684 HG23 HD11 ' A' ' 106' ' ' LEU . 3.5 m -46.54 -43.23 16.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -63.76 -39.65 94.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -68.21 -45.21 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 97' ' ' THR . 67.1 mt -46.72 -52.42 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.58 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 78.5 t60 -47.75 -43.96 27.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.25 -52.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 38.5 mt-10 -62.93 -11.57 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.23 27.5 59.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 10.0 mttp -111.43 18.53 19.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 97' ' ' THR . 4.7 tt -121.96 -44.1 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -61.3 -43.81 91.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.96 -23.94 4.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.65 -44.53 6.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 106' ' ' LEU . 72.2 t -45.51 -31.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.549 ' NE2' HD11 ' A' ' 107' ' ' LEU . 4.2 m-70 -81.3 -52.52 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -51.71 -29.55 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.615 0.722 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -45.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.8 p -48.36 -45.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.5 m-20 -52.09 -48.67 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -54.38 -35.66 63.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -75.8 -43.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -58.48 -40.85 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.0 pt-20 -71.46 -40.92 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 HG21 ' A' ' 30' ' ' VAL . 58.6 m -57.13 -51.04 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.88 HD12 ' HA2' ' A' ' 88' ' ' GLY . 45.1 pt -59.19 -38.43 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 24' ' ' ILE . 55.0 m -68.83 -47.45 65.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.76 -62.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.49 173.81 6.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 m -93.51 -50.34 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 64.3 t -133.53 126.94 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.664 HG21 HG22 ' A' ' 23' ' ' THR . 58.7 t -123.99 111.68 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.596 HD11 ' CD2' ' A' ' 47' ' ' PHE . 20.7 mt -98.06 127.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 72' ' ' LEU . 70.5 m-85 -110.15 115.4 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 p -129.14 151.83 49.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 81' ' ' VAL . 22.0 pttt -118.16 34.21 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 41.5 p 33.63 46.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.7 m -128.92 -45.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 3.9 t -94.21 129.62 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' TYR . 13.3 t -41.39 -52.93 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 47.6 m-85 -35.49 -37.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' TYR . 28.6 p -34.09 -44.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 42' ' ' MET . 12.6 t -76.41 -44.85 34.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 41' ' ' THR . 14.5 mtp -41.32 -49.64 3.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.41 -57.31 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 56' ' ' VAL . 29.6 mttm -52.33 -55.03 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -56.89 -46.11 82.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -49.03 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 73.2 m-85 -62.15 -47.9 82.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.16 -51.48 18.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.28 -35.44 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 mtp -77.68 -12.19 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 62.07 33.74 16.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' ASN . 97.0 t -102.39 101.43 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.2 p-10 -34.83 109.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -117.19 172.08 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -134.4 105.62 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG11 ' NZ ' ' A' ' 44' ' ' LYS . 1.2 p -99.3 142.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -129.05 113.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -81.43 101.32 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 72' ' ' LEU . 79.8 mt -69.77 -51.34 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -46.09 -47.49 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.41 -40.63 70.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.9 131.26 26.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.14 -36.18 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.14 40.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.92 61.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -48.33 -35.37 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.82 -71.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.39 -23.38 37.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.44 -46.74 87.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.3 -53.76 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.88 -52.48 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' THR . 31.3 mt -56.96 -45.47 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -54.21 -31.14 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -80.13 -50.36 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.924 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.9 mtm -68.2 -20.02 64.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.706 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 29.3 p -102.3 -38.56 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.48 8.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 174.98 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -106.48 45.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.718 ' O ' HG13 ' A' ' 81' ' ' VAL . 66.8 p -95.71 165.29 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 80' ' ' THR . 2.5 m -164.97 155.41 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.81 -178.6 17.16 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.334 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.648 ' NH2' ' CZ ' ' A' ' 90' ' ' PHE . 24.2 mmm180 -137.87 117.59 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.91 139.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.706 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.8 m-85 -134.76 118.02 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 29' ' ' VAL . 98.0 t -108.57 133.78 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.7 47.75 8.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.88 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.52 33.85 83.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -143.36 143.34 31.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 77.8 t80 -91.04 87.67 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -62.57 -23.35 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.518 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . 144.18 165.88 11.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.31 -172.94 4.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.45 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.19 -58.62 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 m -51.73 -58.68 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -64.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 106' ' ' LEU . 29.1 m -42.42 -41.63 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.09 -48.22 82.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -59.17 -50.0 75.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 97' ' ' THR . 86.4 mt -42.88 -56.14 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -46.37 -50.95 15.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.22 -62.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.31 -22.56 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.44 49.6 2.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -122.5 -6.01 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 106' ' ' LEU . 4.1 tt -97.55 -53.63 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.69 -44.04 98.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.9 Cg_exo -47.96 -32.59 18.29 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.09 -34.66 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.79 -60.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.403 ' NE2' HD11 ' A' ' 107' ' ' LEU . 3.7 m-70 -52.71 -52.37 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -41.12 -47.25 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.721 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.3 Cg_endo -69.79 -41.71 4.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.8 p -55.6 -38.46 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -60.49 -51.07 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -47.88 -35.13 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 17' ' ' VAL . 18.3 mt -73.94 -51.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -41.72 -37.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.81 -37.67 73.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.568 HG22 HG21 ' A' ' 30' ' ' VAL . 26.3 m -59.84 -49.44 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 25' ' ' SER . 36.1 pt -60.56 -32.17 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 27.2 t -65.13 -59.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -56.51 13.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -82.39 95.59 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -40.27 -32.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.24 128.51 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.717 HG11 ' CE2' ' A' ' 32' ' ' PHE . 75.7 t -134.44 118.3 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.13 101.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.717 ' CE2' HG11 ' A' ' 30' ' ' VAL . 58.8 m-85 -88.89 105.94 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p -110.81 167.27 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HE3' ' CB ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -112.78 4.22 16.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p 48.27 45.84 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -130.06 -34.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' CB ' ' HE3' ' A' ' 34' ' ' LYS . 11.9 t -113.47 159.96 18.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 m -63.75 -37.15 86.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -43.34 -37.77 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -40.51 38.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 3.4 m -81.27 -30.44 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.0 mmm -59.31 -39.6 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -62.54 -66.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 3.8 pttp -59.84 -32.14 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' THR . 75.2 tttt -61.8 -38.66 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 98' ' ' HIS . 7.3 tp -67.53 -51.66 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.02 -39.99 96.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -52.44 -57.16 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.88 -33.3 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 mtp -75.87 -14.97 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 70.94 35.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.9 102.48 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -39.94 114.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 44' ' ' LYS . 35.6 p90 -117.05 171.81 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -133.62 105.78 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.44 133.03 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.4 t -122.7 115.25 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 61' ' ' LEU . 4.4 mp0 -78.67 102.83 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' LEU . 90.7 mt -70.97 -49.4 45.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.96 -36.86 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.705 HD22 ' CB ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.34 -35.53 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' LEU . 17.1 mt -57.5 148.61 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.76 -40.53 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -101.44 38.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.84 -47.74 86.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -56.88 -17.07 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.19 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.33 -30.48 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.12 -49.48 75.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.5 -58.33 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.7 -49.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' MET . 24.9 mt -60.89 -57.11 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CD2' ' C ' ' A' ' 78' ' ' GLU . 6.8 t80 -42.09 -29.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -80.46 -37.53 31.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtm -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.652 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 10.5 p -95.7 -43.1 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.32 -19.64 22.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -127.89 -176.42 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -111.79 -7.03 14.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.698 ' O ' HG13 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -44.35 167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -167.64 159.35 9.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.122 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.77 -179.92 20.53 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.315 -0.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.423 ' NH2' ' HA ' ' A' ' 79' ' ' ARG . 47.9 mtt180 -114.22 113.57 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.07 129.13 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.652 ' HZ ' HG22 ' A' ' 76' ' ' THR . 11.0 m-85 -125.7 119.19 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 HD12 ' A' ' 91' ' ' ILE . 98.0 t -103.8 111.13 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.36 35.22 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.58 44.88 38.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -153.71 146.78 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.16 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -90.59 108.79 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.781 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.44 -19.36 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 170.87 17.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.25 -156.06 32.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.7 -70.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.92 -68.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.466 ' O ' HD12 ' A' ' 106' ' ' LEU . 99.3 m -40.19 -43.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.646 ' HA ' HD22 ' A' ' 46' ' ' LEU . 4.6 t60 -65.61 -49.17 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -39.57 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.0 mt -53.63 -52.59 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.51 -37.7 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -59.73 -55.24 36.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -68.81 -27.06 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.57 35.65 4.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -114.68 9.85 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 110' ' ' VAL . 7.9 tt -109.52 -48.92 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.629 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -57.22 -43.96 99.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.98 -34.58 23.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.03 -30.04 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 106' ' ' LEU . 70.9 t -58.08 -57.27 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 107' ' ' LEU . 6.9 m-70 -49.4 -40.8 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.46 -28.77 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.79 -40.26 5.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.302 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 18' ' ' ASN . 7.6 p -53.57 -41.87 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 17' ' ' VAL . 48.8 m-20 -55.4 -42.56 74.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 49.1 mm-40 -60.41 -31.45 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.4 mt -80.71 -48.73 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -47.27 -36.71 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.27 -42.29 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 m -58.14 -51.02 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 31.3 pt -60.96 -26.83 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -76.95 -57.82 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.76 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -78.54 161.73 26.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 99.9 m -83.82 -51.78 6.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.34 140.98 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.98 136.52 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -124.18 105.66 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -91.85 107.26 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -114.24 169.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.3 pttt -131.37 28.88 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.1 p 31.43 46.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -133.02 -40.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.37 167.51 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 m -87.07 -40.44 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 21.7 m-85 -47.57 -26.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.5 p -48.87 -24.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -92.46 -35.47 13.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 8.5 ptm -59.82 -41.7 91.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.91 -56.29 5.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 56' ' ' VAL . 61.1 mttt -55.01 -41.91 71.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -72.36 -36.56 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.85 -52.66 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.55 -46.89 68.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -47.86 -52.13 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.98 -33.99 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.407 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -75.59 -14.71 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 71.28 30.78 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 110' ' ' VAL . 84.8 t -103.82 98.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.9 t-20 -35.5 115.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -116.63 172.06 7.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 106.66 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -93.1 148.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -146.85 105.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.584 ' HB3' HD23 ' A' ' 61' ' ' LEU . 2.8 mp0 -78.57 115.32 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.83 HD11 HD12 ' A' ' 72' ' ' LEU . 86.3 mt -78.91 -43.56 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 61' ' ' LEU . 11.2 t70 -60.54 -12.47 10.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.654 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.3 -40.49 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.4 mt -55.31 161.86 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.43 -34.83 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -106.44 33.98 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.17 88.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.71 -24.29 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -82.83 -70.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.2 m-85 -52.17 -20.98 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.47 -43.15 73.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.46 -45.71 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.48 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.83 HD12 HD11 ' A' ' 59' ' ' LEU . 30.8 mt -66.59 -47.33 73.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -51.0 -25.08 4.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -84.19 -51.19 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.0 mtm -59.85 -19.78 53.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.681 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 15.1 p -104.01 -43.59 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.82 -22.78 31.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -128.7 159.57 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -99.57 50.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.799 ' O ' HG13 ' A' ' 81' ' ' VAL . 31.1 p -98.38 174.98 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 80' ' ' THR . 2.7 m -167.05 155.05 8.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.4 Cg_endo -69.76 -179.43 19.15 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.348 -0.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.445 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.96 114.69 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.06 138.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.681 ' HZ ' HG22 ' A' ' 76' ' ' THR . 23.4 m-85 -138.24 120.39 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.0 t -102.99 116.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 53.64 41.08 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 68.8 42.7 78.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.56 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.0 m -147.73 129.73 15.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.24 89.06 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.91 -25.34 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.3 13.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -68.82 169.45 42.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -36.04 -61.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -49.89 -68.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -40.68 -58.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.633 ' CG2' HD11 ' A' ' 106' ' ' LEU . 54.3 m -43.44 -53.74 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -50.24 -39.21 44.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -65.71 -43.52 88.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.6 mt -47.65 -51.29 22.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.407 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 9.7 t60 -53.77 -61.66 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -42.07 -47.67 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.99 -28.27 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.35 46.47 2.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -127.41 8.96 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.633 HD11 ' CG2' ' A' ' 97' ' ' THR . 3.4 tt -101.94 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.72 -43.87 98.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.91 -29.42 11.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.66 -40.3 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 52' ' ' VAL . 95.1 t -47.5 -44.11 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.461 ' CE1' HD11 ' A' ' 107' ' ' LEU . 5.6 m-70 -65.72 -41.49 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -40.19 -37.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.612 0.72 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.692 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.82 -41.9 3.8 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.6 p -52.26 -46.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.551 ' N ' HG13 ' A' ' 17' ' ' VAL . 17.1 m120 -54.09 -51.84 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -51.69 -37.35 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' THR . 34.9 mt -71.65 -54.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -39.61 -41.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.71 -38.93 92.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' ILE . 94.3 m -64.08 -48.44 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.513 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.4 pt -67.52 -34.98 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -60.36 -40.54 91.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.6 -63.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -73.7 158.28 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -85.38 -53.31 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.65 114.48 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 24' ' ' ILE . 79.9 t -114.56 110.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 47' ' ' PHE . 56.8 mt -101.19 100.24 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 20.4 m-85 -87.71 116.08 25.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -122.02 152.33 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' THR . 8.8 ptpt -119.74 27.53 8.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . 62.1 p 33.57 49.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.8 m -130.07 -45.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.94 171.63 9.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -82.45 -41.95 19.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 23.5 m-85 -48.52 -21.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 13.5 p -53.42 -22.99 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.2 t -95.08 -40.05 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 10.3 ptm -56.1 -41.68 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.42 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -53.28 -49.47 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.42 -35.88 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.89 -65.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 81.7 m-85 -64.7 -42.77 95.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -52.92 -52.39 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.15 -31.23 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.1 mtp -78.55 -10.95 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 m120 64.12 33.79 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 110' ' ' VAL . 93.7 t -105.13 99.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 26.1 t-20 -35.38 113.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -116.9 172.14 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -131.05 105.57 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.1 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 81.7 t -134.57 105.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.57 100.12 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 32' ' ' PHE . 32.3 mt -71.38 -52.08 20.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.43 -48.69 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -74.13 -39.23 63.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD22 ' CE1' ' A' ' 64' ' ' TYR . 17.5 mt -57.58 144.9 35.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 7.4 pt-20 -67.47 -25.2 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.76 ' CE1' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -108.21 35.93 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.86 -41.74 9.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.55 -12.82 48.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 64' ' ' TYR . 14.6 pt20 -95.09 -46.78 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' A' ' 20' ' ' ILE . 23.8 m-85 -78.68 -14.72 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.12 -37.04 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.21 -50.75 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -39.25 65.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 76' ' ' THR . 20.5 mt -63.72 -52.35 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -46.88 -28.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -80.4 -47.57 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 20.8 mtm -65.43 -20.22 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.5 p -97.88 -51.91 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.11 -14.98 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.94 173.6 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -102.04 42.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.6 p -96.84 117.61 31.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -120.26 157.85 52.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.75 179.54 21.99 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.331 -0.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG3' HG12 ' A' ' 81' ' ' VAL . 24.6 mtt-85 -122.81 120.87 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.8 135.76 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -132.98 122.5 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.93 107.59 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 66.44 30.6 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.23 41.57 21.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -147.24 127.6 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.159 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 50.7 t80 -75.1 89.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -73.03 -24.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.65 159.56 9.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -71.34 173.87 42.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -35.05 -60.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 m -48.16 -64.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -47.63 -59.05 3.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 100' ' ' LEU . 95.8 m -41.99 -44.02 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -59.91 -41.7 92.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -66.74 -49.48 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 97' ' ' THR . 71.1 mt -42.12 -57.06 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -47.95 -40.6 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -70.75 -52.41 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.78 -17.05 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.64 46.86 5.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -131.5 15.74 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.9 tt -116.34 -58.97 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.31 -43.69 99.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.1 Cg_exo -48.0 -25.28 6.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -95.81 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 52' ' ' VAL . 47.0 t -58.08 -34.73 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.873 ' CE1' HD11 ' A' ' 107' ' ' LEU . 56.8 m170 -93.95 39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -131.76 -39.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.583 HG23 ' HB1' ' A' ' 71' ' ' ALA . 4.9 p -51.49 -36.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.05 -30.0 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.525 HG23 ' CZ ' ' A' ' 32' ' ' PHE . 29.5 mt -81.65 -41.62 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.07 -41.44 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.8 -32.5 74.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.527 HG22 HG21 ' A' ' 30' ' ' VAL . 97.4 m -69.29 -51.79 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.608 HD12 ' HA2' ' A' ' 88' ' ' GLY . 16.3 pt -64.55 -33.93 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -66.52 -39.33 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -82.42 -59.51 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -64.93 168.17 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -89.65 -48.93 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 47' ' ' PHE . 45.8 t -134.53 130.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 23' ' ' THR . 86.8 t -129.07 110.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 47' ' ' PHE . 72.6 mt -98.12 112.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' HG23 ' A' ' 20' ' ' ILE . 29.0 m-85 -98.67 109.32 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 p -117.79 153.39 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 35' ' ' THR . 11.0 ptmt -118.0 33.01 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.683 HG21 HD21 ' A' ' 61' ' ' LEU . 43.2 p 30.29 45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.459 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 33.0 t -122.89 -46.14 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.11 161.08 14.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -73.23 -28.07 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 60.2 m-85 -56.47 -15.62 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 18.2 p -55.75 -36.35 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' MET . 1.3 t -82.9 -39.2 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 30.7 mtp -48.47 -52.88 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 31' ' ' ILE . . . -55.65 -48.04 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.6 mppt? -60.13 -60.11 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -28.98 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 97' ' ' THR . 31.0 tp -64.85 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 31' ' ' ILE . 57.4 m-85 -63.47 -46.38 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -51.23 -55.75 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.58 -30.36 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 27.7 mtp -80.76 -13.66 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.93 34.2 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.9 t -105.88 101.83 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.7 t-20 -37.71 111.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -119.0 172.19 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.91 106.2 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -91.48 137.26 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -128.5 101.9 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.697 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.5 mt-10 -69.57 131.49 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 68' ' ' PHE . 12.9 mt -103.61 -43.54 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.43 -26.4 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 58' ' ' GLU . 1.2 mm? -93.91 -41.3 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 58' ' ' GLU . 11.6 mt -45.84 172.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -80.83 -56.46 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 2.3 p90 -91.75 38.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.53 -49.19 61.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -50.81 -24.27 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.73 -67.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CB ' HD22 ' A' ' 59' ' ' LEU . 3.4 m-85 -55.42 -15.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -74.01 -52.29 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.88 -49.36 65.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.22 -53.03 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.87 -60.44 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -41.33 -29.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -86.27 -40.02 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.426 ' CG ' ' CG2' ' A' ' 17' ' ' VAL . 10.6 mtm -61.06 -29.69 69.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -115.68 -52.52 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.8 -11.8 9.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -110.06 150.35 28.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 2.3 mtm180 -93.3 -33.2 14.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -37.35 153.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.501 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -144.96 159.2 50.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 111.128 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.74 -178.42 16.65 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.36 -0.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HD2' HG12 ' A' ' 81' ' ' VAL . 6.0 mpt_? -112.11 124.38 52.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 91' ' ' ILE . 4.6 mp -104.35 133.06 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 42.4 m-85 -136.33 136.6 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.451 HG23 HD12 ' A' ' 91' ' ' ILE . 91.5 t -120.25 109.06 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.5 OUTLIER 66.18 36.44 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.86 34.94 72.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -145.89 120.72 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 111.135 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 45.2 t80 -62.53 134.5 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -125.15 -13.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.55 165.84 11.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.41 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -82.08 -161.67 29.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -49.94 -54.74 17.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -59.91 -68.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.47 -55.71 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -50.54 -45.02 56.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -41.07 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 102' ' ' LYS . 68.6 ttt180 -64.35 -51.83 61.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 106' ' ' LEU . 89.4 mt -40.54 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.8 t60 -51.71 -33.82 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' ARG . 51.6 mttt -76.93 -56.46 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.28 -25.41 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.27 42.09 4.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -129.21 14.07 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 100' ' ' LEU . 4.8 tt -112.87 -46.15 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.762 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -65.12 -43.69 67.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 63.9 Cg_exo -47.96 -28.45 10.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.83 -43.87 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 106' ' ' LEU . 73.6 t -50.47 -34.45 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 107' ' ' LEU . 55.3 m170 -91.58 38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -130.32 -41.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.567 0.699 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -43.34 2.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.9 p -52.91 -40.72 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 17' ' ' VAL . 38.7 m-20 -59.4 -47.3 85.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.04 -24.73 10.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.503 HG23 ' CE2' ' A' ' 32' ' ' PHE . 46.4 mt -87.72 -43.24 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.15 -23.78 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.7 pt-20 -85.3 -39.86 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 30' ' ' VAL . 33.8 m -63.5 -36.22 83.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.582 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.5 pt -75.49 -31.73 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.8 t -75.75 -59.33 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -51.86 -48.31 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -86.24 -176.01 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.0 -47.28 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.38 132.44 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 32' ' ' PHE . 97.0 t -128.8 111.2 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mt -94.91 99.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 30' ' ' VAL . 50.1 m-85 -87.5 104.57 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.3 p -140.1 172.0 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HE3' HG21 ' A' ' 81' ' ' VAL . 14.4 ptpt -122.25 -173.74 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.6 p -109.12 59.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -133.68 -39.68 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -95.97 160.0 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 p -79.03 -45.59 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' THR . 21.8 m-85 -45.72 -37.29 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -39.99 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.3 t -94.27 -38.65 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 10.8 ptm -54.93 -46.8 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.58 -51.84 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.61 -51.75 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -58.19 -45.73 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.01 -72.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.89 -38.18 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -48.96 -49.41 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -65.71 -28.15 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 9.9 mtm -81.58 -9.95 59.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 64.41 37.52 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.3 t -107.23 95.52 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' VAL . 69.9 m-80 -34.64 114.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -121.73 166.21 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -132.4 105.76 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.2 132.15 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.4 t -119.25 123.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -86.53 105.58 16.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.4 mt -72.98 -18.24 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.63 -57.38 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' H ' HD22 ' A' ' 61' ' ' LEU . 1.6 mm? -66.95 -27.37 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' GLY . 13.8 mt -59.94 108.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.7 -40.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -99.76 40.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -64.84 -51.04 55.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -53.08 -20.05 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -79.67 -70.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.52 -21.13 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.67 -41.1 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.84 -47.57 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.23 64.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' THR . 34.7 mt -66.7 -50.77 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.99 -18.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -87.77 -49.28 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.18 -14.77 63.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 72' ' ' LEU . 6.3 p -107.51 -40.14 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.3 53.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 80' ' ' THR . 6.9 tt0 -146.93 159.41 43.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -104.74 51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.523 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 54.2 p -106.78 107.56 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -95.5 160.45 30.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.684 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.71 -177.6 14.83 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.358 -0.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -136.15 115.42 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 91' ' ' ILE . 4.7 mp -98.03 138.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' HZ ' HG22 ' A' ' 76' ' ' THR . 29.8 m-85 -133.98 118.35 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 81.3 t -109.13 141.21 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' VAL . 34.5 t-20 35.02 47.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.18 39.61 97.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' VAL . 0.7 OUTLIER -128.44 -177.87 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.169 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 76' ' ' THR . 8.6 t80 -132.26 71.79 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -57.86 -18.92 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.63 -155.63 22.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.07 -159.31 25.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -55.97 -70.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.08 -68.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -44.04 -61.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.65 -51.91 67.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -59.05 -41.05 86.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 91' ' ' ILE . 40.5 mt -50.91 -55.03 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 74.5 t60 -53.14 -42.94 66.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -55.85 -67.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.52 -23.89 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.24 38.26 5.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.54 -3.52 16.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 110' ' ' VAL . 7.2 tt -99.97 -35.26 9.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.669 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.98 -43.89 88.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.94 -26.46 7.46 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.4 -43.26 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 106' ' ' LEU . 46.4 t -50.43 -37.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.669 ' CE1' HD11 ' A' ' 107' ' ' LEU . 2.4 m-70 -70.4 -21.64 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -76.4 -13.19 60.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.581 0.705 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.2 Cg_endo -69.79 -43.25 2.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.63 -33.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.93 -31.9 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.658 HD11 ' HD1' ' A' ' 68' ' ' PHE . 59.5 mt -75.75 -40.12 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.52 -41.87 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -72.72 -36.68 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -63.76 -54.44 35.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.841 HD12 ' HA2' ' A' ' 88' ' ' GLY . 46.6 pt -52.3 -33.55 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' ILE . 40.8 t -70.9 -62.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.3 -58.16 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -77.74 151.66 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.0 t -70.21 -53.37 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -131.1 140.59 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 88.0 t -135.3 124.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 56' ' ' VAL . 39.0 mt -115.64 116.9 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.459 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 65.6 m-85 -103.64 106.72 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -117.71 145.42 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 pttp -108.94 34.5 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.3 p 32.86 42.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.7 m -119.6 -47.27 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -95.22 130.71 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' CYS . 6.1 m -46.12 -50.09 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 44.5 m-85 -37.53 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' SER . 31.2 p -39.69 -41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 t -76.08 -38.41 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.1 mmm -50.24 -56.06 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.06 -62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.85 -40.83 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -58.78 -33.19 70.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' ND1' ' A' ' 98' ' ' HIS . 16.1 tp -70.94 -55.63 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 31' ' ' ILE . 66.5 m-85 -63.12 -54.12 42.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.95 -45.24 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -65.51 -34.86 79.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 18.3 mtp -78.18 -8.02 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 62.02 35.81 15.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.8 t -105.38 103.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' VAL . 23.0 t-20 -38.01 110.45 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 44' ' ' LYS . 36.6 p90 -116.58 171.98 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -136.25 110.11 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HD2' ' A' ' 44' ' ' LYS . 1.2 p -102.28 140.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.5 t -128.26 113.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -79.67 99.86 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 62' ' ' LEU . 82.0 mt -71.08 -50.21 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 3.8 t70 -43.54 -47.12 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.31 -39.93 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 59' ' ' LEU . 35.4 mt -53.42 136.89 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -57.65 -41.14 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -98.8 37.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.56 29.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -47.57 -29.65 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.95 -72.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.658 ' HD1' HD11 ' A' ' 20' ' ' ILE . 31.9 m-85 -57.07 -25.46 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -61.4 -48.73 79.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.68 -57.17 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.87 -51.66 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' A' ' 20' ' ' ILE . 28.2 mt -56.78 -50.7 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -47.94 -29.02 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -79.24 -44.99 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 16.4 mtm -70.41 -25.12 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.607 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 28.4 p -99.29 -38.84 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.6 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 80' ' ' THR . 2.7 tp10 -123.21 153.99 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 17.4 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 78' ' ' GLU . 76.2 p -64.45 158.38 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -155.01 158.56 32.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.76 -178.1 16.0 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.333 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD3' HG21 ' A' ' 76' ' ' THR . 1.6 mmp_? -121.02 112.6 18.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 93' ' ' GLY . 5.2 mp -100.94 136.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.607 ' HZ ' HG22 ' A' ' 76' ' ' THR . 15.5 m-85 -135.49 118.22 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.678 HG23 HD12 ' A' ' 91' ' ' ILE . 95.0 t -99.38 121.33 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 48.59 40.33 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.841 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.37 36.53 78.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.5 m -144.22 126.15 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -74.52 112.83 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.791 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -102.86 -29.26 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.0 167.1 22.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -81.92 -156.97 18.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -51.95 -58.49 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.2 m -58.99 -71.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.17 -61.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.529 HG22 ' CD2' ' A' ' 46' ' ' LEU . 66.4 m -41.46 -49.0 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' HD13 ' A' ' 46' ' ' LEU . 2.5 t60 -56.81 -53.79 53.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -52.07 -53.55 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.0 mt -40.42 -58.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 55.3 t60 -51.6 -47.36 63.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -51.72 -64.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 53.03 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -126.34 -8.84 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 110' ' ' VAL . 6.0 tt -94.73 -55.93 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.63 -44.64 95.59 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.0 Cg_exo -47.97 -33.38 20.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.216 . . . . 0.0 112.41 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -88.2 -37.82 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.518 HG23 HD23 ' A' ' 106' ' ' LEU . 87.3 t -49.35 -53.63 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -54.01 -42.28 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.31 -55.17 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 110' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.75 -38.79 7.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.45 -37.63 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.89 -46.93 87.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 26.4 mt-30 -51.57 -24.86 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.5 HG23 ' CE2' ' A' ' 32' ' ' PHE . 32.4 mt -88.26 -35.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -61.8 -36.68 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.28 -38.37 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.9 m -64.86 -50.9 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.56 HD12 ' HA2' ' A' ' 88' ' ' GLY . 41.1 pt -57.88 -32.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 24' ' ' ILE . 37.4 t -66.93 -59.75 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.79 -56.16 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -79.34 173.11 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.45 -56.47 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.6 t -119.9 125.02 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -126.02 113.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' CD2' ' A' ' 47' ' ' PHE . 33.0 mt -99.79 109.68 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CE2' HG23 ' A' ' 20' ' ' ILE . 22.5 m-85 -92.83 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.1 p -113.19 171.92 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.739 ' CD ' HG21 ' A' ' 81' ' ' VAL . 17.8 ptmt -131.36 25.01 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.652 HG21 ' CD1' ' A' ' 61' ' ' LEU . 3.1 t 32.13 45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 1.2 t -134.95 -41.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 81' ' ' VAL . 20.7 p -90.66 146.25 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -61.6 -28.22 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.408 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 35.4 m-85 -64.64 -16.2 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.4 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -67.59 -29.27 68.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 mmm -53.69 -57.89 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -61.51 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -46.57 -38.2 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -71.11 -49.64 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -45.94 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HD11 ' A' ' 31' ' ' ILE . 86.7 m-85 -57.21 -40.13 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -57.18 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -56.91 -33.46 66.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 mtp -77.2 -9.2 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 59.56 37.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 110' ' ' VAL . 86.9 t -105.94 103.54 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' VAL . 54.1 t30 -38.16 110.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -116.7 171.06 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -129.74 105.61 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.58 141.53 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 105.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.6 ' HB2' HD22 ' A' ' 61' ' ' LEU . 17.6 mt-10 -77.06 99.91 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 72' ' ' LEU . 30.6 mt -58.05 -48.17 80.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -45.2 -37.92 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 35' ' ' THR . 4.6 mp -72.69 -37.03 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.4 mt -58.08 161.71 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -80.28 -42.15 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -99.66 40.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.25 -42.6 95.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.5 -19.4 24.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -84.23 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.4 m-85 -58.65 -25.97 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.46 -47.73 82.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -44.76 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.57 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 76' ' ' THR . 23.7 mt -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.2 -27.83 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -84.24 -44.86 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.1 mtm -66.34 -22.59 66.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -101.51 -47.6 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.32 -24.04 11.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -131.76 162.69 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -96.39 51.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.1 p -108.14 117.79 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -114.93 156.92 44.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.79 -178.73 17.4 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HG2' HG21 ' A' ' 76' ' ' THR . 0.1 OUTLIER -117.24 113.37 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.31 131.93 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HZ ' HG22 ' A' ' 76' ' ' THR . 17.3 m-85 -133.52 121.61 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 91' ' ' ILE . 98.7 t -102.54 114.6 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 56.62 43.26 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.87 39.71 93.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.2 m -149.23 140.55 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.9 120.84 27.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.871 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -109.07 -23.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.85 166.59 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -85.7 -176.22 50.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -34.21 -61.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -53.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 99' ' ' ARG . 82.8 m-20 -46.12 -68.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.605 ' CG2' HD11 ' A' ' 106' ' ' LEU . 87.7 m -39.7 -45.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -42.38 95.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ASP . 31.4 ttt180 -67.57 -46.91 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 105' ' ' LYS . 82.1 mt -41.91 -51.45 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -54.74 -44.15 73.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -52.11 -56.59 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -67.47 -30.95 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.93 45.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.74 7.48 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 97' ' ' THR . 5.6 tt -102.91 -59.25 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -53.82 -44.19 97.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.7 Cg_exo -48.02 -29.67 12.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' HG11 ' A' ' 86' ' ' VAL . 16.4 mt -90.12 -37.3 14.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 52' ' ' VAL . 74.3 t -57.82 -42.33 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.568 ' NE2' HD11 ' A' ' 107' ' ' LEU . 2.2 m-70 -92.31 56.07 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -134.8 -41.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 1.9 p -42.48 -45.25 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 5.3 m-20 -58.51 -49.69 76.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 87.3 mm-40 -47.14 -32.78 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.576 HG23 ' HZ ' ' A' ' 32' ' ' PHE . 32.9 mt -76.76 -48.84 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.11 -32.77 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 19' ' ' GLN . 5.0 pt-20 -80.56 -32.72 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 82.2 m -73.56 -37.53 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' HA2' ' A' ' 88' ' ' GLY . 29.0 pt -76.34 -16.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m -88.34 -29.62 20.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -81.56 -60.12 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -76.77 153.89 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -59.56 -69.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -118.46 148.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 94.1 t -126.25 109.5 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -98.59 105.03 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.576 ' HZ ' HG23 ' A' ' 20' ' ' ILE . 59.9 m-85 -89.36 107.02 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -120.46 152.78 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.536 ' CD ' HG21 ' A' ' 81' ' ' VAL . 3.5 pttp -120.42 28.85 7.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . 18.5 p 33.64 48.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.1 m -128.26 -45.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.41 140.2 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 41' ' ' THR . 22.0 m -57.98 -39.92 79.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -52.67 -24.9 9.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 p -57.72 -16.78 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 38' ' ' SER . 1.3 t -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.59 ' SD ' ' HB1' ' A' ' 94' ' ' ALA . 6.2 ptm -62.11 -47.0 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.12 -50.56 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -56.31 -49.12 75.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -64.83 -33.86 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD2' HG22 ' A' ' 97' ' ' THR . 46.9 tp -58.53 -64.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -64.93 -35.89 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.32 -57.04 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.5 -34.85 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.5 mtp -71.08 -13.59 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.45 31.83 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.596 ' CG1' HG11 ' A' ' 110' ' ' VAL . 34.4 t -104.03 112.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -52.92 116.76 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 29' ' ' VAL . 31.8 p90 -119.8 172.17 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -130.55 105.63 7.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.13 139.51 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.7 t -130.18 103.7 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -71.77 103.6 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.31 -49.6 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -47.45 -39.22 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.6 -30.15 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.18 134.32 55.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.91 -35.2 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -105.01 37.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -53.2 43.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -50.35 -18.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -86.82 -64.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.81 -14.21 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -73.9 -50.02 22.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.1 -44.21 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.74 -43.34 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.8 mt -65.79 -47.97 73.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 t80 -53.52 -22.58 8.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -82.69 -38.1 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.473 ' SD ' HG22 ' A' ' 17' ' ' VAL . 23.6 mtm -83.84 -13.99 52.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.604 HG21 HH12 ' A' ' 83' ' ' ARG . 4.9 p -117.44 -35.33 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 94.13 -20.23 48.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -104.25 163.91 12.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -128.92 26.82 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.98 154.06 17.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -134.81 159.01 73.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.177 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.78 -178.2 16.23 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.604 HH12 HG21 ' A' ' 76' ' ' THR . 1.0 OUTLIER -133.0 117.52 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.469 HG22 HD11 ' A' ' 91' ' ' ILE . 4.2 mp -98.22 130.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 32.3 m-85 -123.98 118.03 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -108.51 126.71 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 44.85 47.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.866 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.7 38.8 95.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -143.75 148.37 35.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -95.6 89.36 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -75.15 -17.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.21 170.45 16.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.6 -160.31 25.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.59 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -53.05 -62.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.64 -63.8 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.01 -63.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.634 HG23 HD11 ' A' ' 106' ' ' LEU . 97.6 m -41.68 -46.13 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -45.32 89.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 102' ' ' LYS . 43.9 ttt180 -67.13 -52.93 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.4 mt -37.41 -51.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -58.12 -37.51 74.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.0 mmmt -61.47 -61.01 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.4 -34.39 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.1 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -122.33 15.6 10.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 97' ' ' THR . 5.2 tt -112.2 -46.38 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.004 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.29 -43.21 92.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.2 Cg_exo -47.96 -30.23 13.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.2 -46.01 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' LEU . 44.4 t -48.52 -27.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 1.004 ' CE1' HD11 ' A' ' 107' ' ' LEU . 17.6 m170 -101.68 30.08 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -124.14 -21.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.631 0.729 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.78 -42.19 3.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.513 HG23 ' HB1' ' A' ' 71' ' ' ALA . 7.1 p -55.37 -29.97 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.596 ' OD1' ' HB3' ' A' ' 15' ' ' ALA . 29.9 m120 -68.11 -49.2 62.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.96 -29.17 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.99 -44.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -48.2 -41.2 26.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.29 -42.29 59.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -58.15 -56.71 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.626 HD12 ' HA2' ' A' ' 88' ' ' GLY . 47.9 pt -48.31 -37.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.4 m -73.74 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -47.45 -63.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.95 141.96 54.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -63.84 -43.66 95.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t -142.36 139.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.57 130.5 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -117.36 114.64 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -99.08 105.57 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.1 p -115.78 157.5 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' THR . 3.1 ptmm? -124.34 29.1 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LYS . 58.9 p 35.19 51.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -132.07 -45.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 t -98.63 125.78 44.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -47.0 -36.29 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' MET . 9.9 m-85 -44.09 -43.43 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 60.2 m -45.52 -36.9 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 m -70.86 -30.32 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.4 mmm -68.15 -54.56 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.01 62.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.22 -55.79 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -56.75 -40.08 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.16 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 65.0 m-85 -57.95 -49.25 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.7 -51.71 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.26 -37.82 81.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 mtp -73.21 -18.87 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 71.92 31.54 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ASN . 99.2 t -100.5 102.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' VAL . 18.5 t-20 -34.58 107.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -116.51 171.95 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -139.03 108.48 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.4 p -100.27 139.14 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' HE3' ' A' ' 55' ' ' LYS . 44.0 t -127.42 114.94 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -80.01 102.85 9.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 HD12 ' A' ' 62' ' ' LEU . 98.3 mt -73.04 -54.26 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' OD1' HD23 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -38.93 -40.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 60' ' ' ASP . 14.8 mt -80.66 -41.49 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 59' ' ' LEU . 11.8 mt -47.98 125.72 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.46 -37.88 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 6.1 p90 -102.55 39.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -55.58 27.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -49.98 -25.13 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.85 -71.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.4 -29.41 48.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.73 -50.57 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -63.78 -50.21 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.31 -53.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 76' ' ' THR . 25.5 mt -64.16 -42.52 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.25 -26.72 63.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.14 -41.75 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtm -72.1 -31.5 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 72' ' ' LEU . 13.9 p -93.79 -43.28 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.51 -27.09 14.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.61 -175.24 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -134.81 44.93 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.739 ' N ' HH12 ' A' ' 83' ' ' ARG . 50.8 p -90.97 110.11 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.529 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.9 m -99.8 152.65 37.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.72 -176.24 12.23 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.351 -0.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.739 HH12 ' N ' ' A' ' 80' ' ' THR . 13.8 mtp85 -129.77 111.66 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.36 132.14 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.23 117.99 23.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.667 HG23 HD12 ' A' ' 91' ' ' ILE . 91.7 t -105.35 111.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 55.51 44.44 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.626 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 64.76 40.87 97.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 m -149.01 136.71 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -80.73 120.66 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.52 -24.47 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 154.52 -176.84 32.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -100.76 -154.67 27.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.21 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -54.24 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -40.75 -62.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 100' ' ' LEU . 53.7 m -45.78 -42.66 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.86 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -70.21 -40.17 74.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 97' ' ' THR . 63.5 mt -53.81 -53.57 50.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.408 ' HB2' HD13 ' A' ' 106' ' ' LEU . 84.1 t60 -50.25 -45.33 54.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -55.57 -64.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' CG ' ' HE ' ' A' ' 99' ' ' ARG . 19.4 mm-40 -60.0 -27.11 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.84 51.86 1.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -128.62 -1.76 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.621 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.6 tt -101.16 -54.93 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.9 tm? -57.54 -42.54 96.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -47.95 -25.75 6.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CB ' HG11 ' A' ' 86' ' ' VAL . 14.6 mt -92.83 -39.84 10.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.82 -54.11 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.537 ' NE2' HD11 ' A' ' 107' ' ' LEU . 3.8 m-70 -51.13 -50.81 58.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -44.04 -49.05 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.563 0.696 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.2 p -38.29 -42.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.471 ' N ' HG13 ' A' ' 17' ' ' VAL . 71.5 m-80 -60.3 -49.84 76.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -51.88 -23.66 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.706 HD11 ' HD1' ' A' ' 68' ' ' PHE . 40.9 mt -85.95 -45.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.49 -35.3 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.21 -34.05 63.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.5 m -73.62 -49.19 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.993 HD12 ' HA2' ' A' ' 88' ' ' GLY . 50.8 pt -64.02 -24.89 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -71.83 -40.72 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.28 -53.9 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -69.23 147.3 51.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -75.64 -47.47 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.11 125.35 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 32' ' ' PHE . 76.3 t -113.44 109.94 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.61 104.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.6 m-85 -94.24 110.76 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -112.58 165.56 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -133.39 31.08 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD21 ' A' ' 61' ' ' LEU . 33.2 p 32.4 44.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -123.8 -46.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.2 165.83 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 41' ' ' THR . 1.9 t -86.71 -32.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 21.3 m-85 -55.29 -17.67 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.4 p -55.67 -25.64 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 38' ' ' SER . 4.3 t -91.57 -37.15 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 8.2 ptm -61.04 -41.76 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -68.62 -59.3 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.053 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' CE ' HG21 ' A' ' 56' ' ' VAL . 58.9 mttt -52.89 -36.99 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.44 -37.13 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 tp -52.18 -54.15 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -68.12 -36.73 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -54.66 -55.13 32.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.33 -28.46 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 mtp -80.03 -11.21 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 63.59 38.52 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -110.6 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.0 m-20 -34.56 116.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -120.09 171.31 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG21 ' CE ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -96.87 130.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.529 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 38.8 t -130.77 99.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.792 ' CB ' HD23 ' A' ' 61' ' ' LEU . 5.9 mt-10 -74.19 111.04 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.8 mt -77.48 -45.68 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 12.9 t70 -39.07 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 58' ' ' GLU . 1.2 mm? -93.2 -46.89 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.3 153.82 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 13.2 pt-20 -77.99 -26.84 48.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.15 19.41 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.88 4.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.08 -24.74 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -79.47 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.706 ' HD1' HD11 ' A' ' 20' ' ' ILE . 17.0 m-85 -56.56 -24.55 47.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -61.75 -49.94 74.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 33.4 t0 -70.16 -47.03 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.728 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.7 mt -65.13 -53.45 45.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -46.72 -21.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE2' ' CG ' ' A' ' 70' ' ' ASP . 18.0 mttm -85.52 -45.09 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.1 mtm -69.62 -15.69 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 p -114.83 -39.96 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.38 57.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 80' ' ' THR . 6.0 tp10 -108.64 158.07 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 48.2 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.436 HG22 ' CG ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -111.36 149.68 30.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.1 m -133.15 154.92 81.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.78 178.76 24.41 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.481 HH21 HD12 ' A' ' 72' ' ' LEU . 3.2 mtm-85 -128.32 117.0 20.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -97.89 128.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.728 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 20.0 m-85 -121.56 117.92 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.702 HG23 HD12 ' A' ' 91' ' ' ILE . 20.2 t -111.78 108.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t30 59.95 44.61 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.993 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.8 43.87 98.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.1 m -148.03 143.13 27.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -90.06 79.39 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.702 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -62.05 -16.1 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.49 11.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.46 -155.32 5.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.52 -61.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 100' ' ' LEU . 39.4 m -45.36 -47.28 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.59 -44.18 89.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.94 -42.85 90.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 97' ' ' THR . 57.5 mt -49.16 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.424 ' N ' ' HB2' ' A' ' 106' ' ' LEU . 1.9 t60 -39.94 -59.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -43.29 -63.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 5.1 mm-40 -65.21 -15.85 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.18 43.62 5.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 1.8 mttp -126.17 23.42 7.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.3 tt -110.36 -56.18 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -55.99 -43.61 99.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.932 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -48.02 -34.4 23.01 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.48 -45.77 13.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -42.81 -55.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.503 ' CE1' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -50.1 -48.04 53.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.25 -16.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.571 0.701 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.73 -41.99 3.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.3 p -52.61 -42.48 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 17' ' ' VAL . 23.6 m120 -54.32 -43.36 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -59.53 -35.0 73.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -45.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.32 -35.47 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.17 -32.35 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 m -66.02 -42.02 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.691 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.8 pt -66.33 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.6 p -61.42 -49.88 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.83 -60.86 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -66.66 154.2 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.2 m -81.1 -44.08 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 86' ' ' VAL . 98.8 t -138.4 125.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.94 122.98 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 mt -113.13 113.94 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 61.8 m-85 -98.84 110.83 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 p -113.91 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.603 ' CD ' HG21 ' A' ' 81' ' ' VAL . 12.4 ptmt -135.04 36.25 3.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.751 ' CG2' HD21 ' A' ' 61' ' ' LEU . 82.3 p 28.25 47.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 8.7 t -135.0 -43.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.97 126.73 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.4 m -44.22 -52.76 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' MET . 25.7 m-85 -41.77 -37.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' TYR . 91.2 m -36.3 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' TYR . 3.1 t -86.49 -39.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.9 ptm -52.19 -43.12 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -57.76 -51.84 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' HG21 ' A' ' 56' ' ' VAL . 16.1 mttm -60.09 -54.44 45.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -54.27 -45.94 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -48.08 -71.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -54.64 -49.5 70.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -46.19 -44.31 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -67.92 -33.96 75.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 26.9 mtm -79.16 -7.84 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.14 32.91 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.6 t -103.65 99.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 29.0 t-20 -34.93 113.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.41 170.68 8.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -133.28 105.24 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -98.95 136.28 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.4 t -130.91 99.99 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.939 ' HB3' HD23 ' A' ' 61' ' ' LEU . 1.8 mp0 -74.19 127.42 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 62' ' ' LEU . 12.2 mt -91.66 -45.63 8.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.84 -17.83 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.939 HD23 ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -98.38 -32.21 11.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.8 mt -62.3 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.28 -37.26 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -104.43 36.69 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.24 -47.35 55.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -52.74 -32.78 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.96 -70.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.76 -19.46 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.29 -45.97 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' OD2' ' CE ' ' A' ' 74' ' ' LYS . 31.4 t0 -66.68 -52.38 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -45.14 -60.2 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.8 mt -44.16 -53.19 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CD1' ' CG ' ' A' ' 79' ' ' ARG . 3.3 t80 -47.97 -53.84 14.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 17.0 mttm -58.76 -16.33 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.0 mtm -93.82 -35.79 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.417 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 30.0 p -94.15 -61.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.14 10.7 51.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -121.54 -42.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' CG ' ' CD1' ' A' ' 73' ' ' TYR . 10.5 mtm180 70.21 46.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.9 p -119.37 114.6 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.603 HG21 ' CD ' ' A' ' 34' ' ' LYS . 31.0 m -97.16 152.27 38.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.998 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.74 -179.61 19.61 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.297 -0.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.411 ' NH2' HG13 ' A' ' 81' ' ' VAL . 24.3 mtt180 -136.76 115.03 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.24 139.68 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.417 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.7 m-85 -134.54 118.27 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 HD12 ' A' ' 91' ' ' ILE . 93.4 t -108.08 124.25 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.88 32.06 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 73.98 41.66 39.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.8 m -149.87 133.38 16.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -77.82 87.81 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -68.36 -23.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.23 155.14 7.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.96 -173.1 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.998 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.71 -59.1 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.7 m -56.97 -52.37 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.87 -65.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 106' ' ' LEU . 83.2 m -40.0 -46.53 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -56.41 -46.41 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -62.8 -48.84 77.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 97' ' ' THR . 97.3 mt -43.49 -56.05 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 84.4 t60 -48.16 -47.64 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -65.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.88 -27.41 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.01 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -127.2 2.96 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.614 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.8 tt -102.29 -55.56 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.5 tm? -56.4 -42.97 98.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.3 Cg_exo -48.01 -30.3 13.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' HB2' HG11 ' A' ' 86' ' ' VAL . 7.5 mt -91.84 -30.79 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.408 HG23 HD23 ' A' ' 106' ' ' LEU . 70.3 t -60.91 -47.41 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.572 ' NE2' HD11 ' A' ' 107' ' ' LEU . 2.9 m-70 -61.16 -40.9 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.99 -34.26 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.527 0.679 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 -41.03 4.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.35 -38.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -59.82 -41.9 92.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -58.13 -34.49 70.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' ILE . 38.6 mt -74.43 -44.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -56.42 -40.74 75.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.67 -38.19 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -63.76 -51.61 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' ' 88' ' ' GLY . 42.4 pt -57.62 -32.92 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -71.62 -56.58 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -57.38 -59.45 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -60.59 165.86 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.2 t -97.64 -31.87 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 28' ' ' CYS . 94.8 t -152.52 122.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG22 ' HZ1' ' A' ' 55' ' ' LYS . 79.7 t -122.67 126.89 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 47' ' ' PHE . 64.0 mt -119.91 107.02 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.49 104.46 17.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 24.2 p -118.89 153.87 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.856 ' HD2' HG21 ' A' ' 81' ' ' VAL . 5.3 ptmt -116.14 137.97 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.0 p -61.57 -32.89 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -31.3 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.52 164.07 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' CYS . 3.5 m -94.48 -44.0 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 83.6 m-85 -41.0 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 33' ' ' SER . 29.4 p -46.99 -39.35 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 42' ' ' MET . 7.3 t -74.9 -41.86 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.434 ' N ' HG23 ' A' ' 41' ' ' THR . 14.1 mmm -43.58 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.0 -44.19 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 15.4 mtpp -61.9 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.97 -43.56 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD2' HG22 ' A' ' 97' ' ' THR . 50.2 tp -54.46 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 31' ' ' ILE . 75.2 m-85 -62.97 -56.32 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 1.4 t-80 -43.14 -45.91 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.17 -35.11 78.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -76.34 -13.93 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 t30 69.43 29.42 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -96.85 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -38.99 109.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -122.72 172.17 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HZ1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -131.03 111.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.46 139.62 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.8 t -127.98 106.89 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HB2' HD12 ' A' ' 61' ' ' LEU . 16.5 mp0 -71.98 101.22 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 62' ' ' LEU . 94.9 mt -65.01 -48.61 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.89 -36.47 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 58' ' ' GLU . 81.2 mt -79.29 -42.69 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 59' ' ' LEU . 12.2 mt -47.07 117.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -44.32 -41.98 6.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -98.55 36.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.04 38.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -28.5 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -71.51 -71.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.46 -25.06 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -64.05 -43.21 96.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -68.38 -53.2 25.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 -48.76 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 34.5 mt -65.58 -37.77 87.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' GLY . 21.7 t80 -61.09 -29.56 69.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -80.04 -41.41 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.9 mtm -75.48 -23.62 56.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -103.25 -35.68 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 100.97 -29.21 13.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.02 171.03 10.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -112.42 46.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.9 p -89.16 152.71 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.856 HG21 ' HD2' ' A' ' 34' ' ' LYS . 23.6 m -153.86 153.61 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.76 -178.56 16.98 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.7 ' NH1' HG21 ' A' ' 76' ' ' THR . 1.2 mtp-105 -139.61 124.12 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.709 HD13 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -97.9 142.9 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.35 117.84 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.673 HG11 ' CB ' ' A' ' 109' ' ' LEU . 75.2 t -110.4 128.25 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.45 41.28 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.12 41.66 99.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -150.85 144.15 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.174 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -84.37 126.16 32.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.806 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -118.56 -29.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.01 168.15 29.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.25 -161.54 32.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.43 -49.7 43.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -68.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.97 -58.36 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.751 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.8 m -46.59 -41.67 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.671 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.7 t60 -62.44 -40.54 96.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -71.73 -42.21 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 97' ' ' THR . 60.1 mt -49.71 -51.59 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.416 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.0 t60 -50.06 -44.52 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.21 -53.2 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.75 -29.17 66.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.05 40.57 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -126.22 12.58 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.5 tt -108.94 -54.95 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.7 OUTLIER -52.97 -44.49 96.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.96 -27.22 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.673 ' CB ' HG11 ' A' ' 86' ' ' VAL . 5.5 mt -95.15 -28.43 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.447 HG23 HD23 ' A' ' 106' ' ' LEU . 58.1 t -67.65 -33.24 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.752 ' CE1' HD11 ' A' ' 107' ' ' LEU . 2.0 m-70 -85.06 24.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -116.14 -61.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.649 0.738 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.7 -40.09 5.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 4.4 p -49.09 -40.94 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.425 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 32.6 m120 -59.37 -43.35 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -56.74 -33.85 66.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 72' ' ' LEU . 38.4 mt -75.32 -51.78 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -43.65 -34.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.03 -41.01 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -61.16 -43.8 98.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.51 -33.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -72.09 -50.33 29.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.35 -54.97 21.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.1 -178.92 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.1 t -105.87 -48.66 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' SG ' ' A' ' 28' ' ' CYS . 53.0 t -132.8 113.84 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG11 ' CE2' ' A' ' 32' ' ' PHE . 96.0 t -110.94 117.3 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 47' ' ' PHE . 62.1 mt -105.64 99.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CE2' HG11 ' A' ' 30' ' ' VAL . 41.7 m-85 -90.54 104.26 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 9.7 p -128.44 173.93 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.806 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.2 ptmm? -123.8 -174.68 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 61' ' ' LEU . 40.0 p -115.75 48.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 4.8 m -127.8 -28.15 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.51 169.58 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -91.58 -30.76 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.439 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 76.4 m-85 -56.03 -14.54 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.04 -46.61 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -71.3 -27.65 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.3 mmm -57.47 -54.01 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -60.58 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -50.67 -52.74 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -58.09 -47.04 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.65 -64.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 31' ' ' ILE . 73.4 m-85 -57.68 -44.32 85.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -51.95 -47.78 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -63.11 -36.37 83.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.29 -15.79 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.77 32.46 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -103.54 106.23 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.4 m-20 -36.47 113.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -123.61 165.88 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -131.47 105.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -97.38 144.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 88.5 t -137.89 106.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -76.32 104.91 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 62' ' ' LEU . 28.3 mt -70.69 -33.14 70.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.9 -45.36 94.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 35' ' ' THR . 3.3 mp -68.31 -32.77 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 59' ' ' LEU . 19.5 mt -62.19 154.29 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.16 -53.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -88.47 28.37 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.2 -48.23 47.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -52.68 -20.42 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -80.41 -70.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.506 ' HD1' HD11 ' A' ' 20' ' ' ILE . 10.8 m-85 -55.76 -24.2 33.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.572 ' HG2' HD13 ' A' ' 59' ' ' LEU . 18.8 mt-30 -66.22 -38.98 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE3' ' A' ' 74' ' ' LYS . 17.6 t0 -69.86 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.87 -48.49 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 20' ' ' ILE . 26.4 mt -62.16 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.6 t80 -53.2 -29.47 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -77.43 -49.23 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HD23 ' A' ' 72' ' ' LEU . 29.8 mtm -51.3 -20.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.526 HG23 HH21 ' A' ' 83' ' ' ARG . 8.4 p -112.16 -60.26 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' N ' ' OG1' ' A' ' 76' ' ' THR . . . 122.76 8.38 6.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 80' ' ' THR . 4.2 tt0 -156.21 160.54 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.62 52.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.453 HG23 ' HG2' ' A' ' 78' ' ' GLU . 52.4 p -100.6 140.69 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.806 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -135.55 159.68 70.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.154 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.526 HH21 HG23 ' A' ' 76' ' ' THR . 10.4 mtp-105 -127.29 112.94 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.38 132.03 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.46 118.17 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.59 108.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.05 30.83 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.67 35.18 29.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.9 m -137.49 138.71 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -87.43 73.78 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.57 -9.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.86 -173.76 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.59 -160.8 28.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -58.37 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -54.46 -65.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.9 -61.43 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.0 m -47.22 -40.62 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.74 -41.74 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -65.55 -41.15 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 97' ' ' THR . 77.1 mt -50.07 -59.32 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -45.93 -42.92 13.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -62.02 -61.17 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.79 -22.22 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.58 46.0 3.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -127.51 10.27 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.9 tt -110.37 -52.06 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.755 HD11 ' NE2' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.83 -43.33 97.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.3 Cg_exo -47.93 -20.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.98 -49.48 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -43.54 -37.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.755 ' NE2' HD11 ' A' ' 107' ' ' LEU . 1.6 m-70 -86.16 39.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -132.78 -33.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.603 0.716 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.8 -45.43 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 3.3 p -49.65 -43.0 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.6 m-80 -61.63 -39.79 92.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -61.19 -23.15 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 72' ' ' LEU . 24.7 mt -90.51 -37.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.85 -32.28 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.0 -37.56 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 1.001 HG22 HG21 ' A' ' 30' ' ' VAL . 99.3 m -64.02 -51.27 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA2' ' A' ' 88' ' ' GLY . 49.3 pt -59.71 -23.39 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.5 t -78.31 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.07 -55.92 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -72.85 142.81 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.11 -56.24 9.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -124.85 131.84 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.001 HG21 HG22 ' A' ' 23' ' ' THR . 72.9 t -127.45 110.51 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -96.54 137.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.622 ' CE2' HG12 ' A' ' 30' ' ' VAL . 62.7 m-85 -127.21 111.59 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 1.8 t -121.16 172.56 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -126.24 12.05 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p 49.27 34.56 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -115.86 -41.87 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.18 164.18 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -80.99 -30.94 34.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -49.26 -32.42 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.6 p -56.78 -35.73 69.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -73.21 -20.8 60.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mmm -76.65 -56.32 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.28 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -50.57 -62.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.0 mptt -49.09 -53.06 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 97' ' ' THR . 16.9 tp -39.97 -67.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -59.33 -42.79 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.02 -54.21 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.66 -29.65 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.6 mtp -78.07 -7.0 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 m120 56.51 34.9 25.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.4 t -104.01 101.32 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.5 m120 -38.35 109.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -117.15 172.04 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -131.77 105.69 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.45 143.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 20.6 t -135.93 119.9 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' HD22 ' A' ' 61' ' ' LEU . 3.9 mp0 -90.53 104.99 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.8 mt -68.02 -46.23 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -51.03 -44.61 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -70.53 -40.36 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.5 mt -49.6 160.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.78 -44.67 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -98.73 30.89 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.7 -54.75 10.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -45.1 -26.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -78.02 -70.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.37 -14.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -74.27 -45.54 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -75.08 -46.09 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.12 -47.42 23.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 76' ' ' THR . 29.7 mt -63.19 -50.41 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -44.43 -31.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -74.8 -45.48 43.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 mtm -75.58 -14.16 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.3 p -107.02 -25.03 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 70.91 21.87 78.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.96 -178.22 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -128.67 40.92 3.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -97.91 112.33 24.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.504 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -108.54 158.82 32.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 179.86 21.16 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.363 -0.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.421 ' NH1' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -121.36 112.1 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -103.88 130.86 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' HZ ' HG22 ' A' ' 76' ' ' THR . 32.0 m-85 -125.83 119.7 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.631 HG23 HD12 ' A' ' 91' ' ' ILE . 61.9 t -109.07 106.82 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 67.61 32.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 75.81 33.26 51.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -139.69 146.15 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -89.15 85.78 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.631 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.27 -19.5 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.88 176.83 18.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.37 -151.4 24.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.79 -65.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -50.46 -70.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -38.54 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 106' ' ' LEU . 24.1 m -41.88 -46.45 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.1 -39.42 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -66.37 -33.71 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 97' ' ' THR . 89.7 mt -56.5 -58.84 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.526 ' HB2' HD13 ' A' ' 106' ' ' LEU . 3.9 t60 -43.06 -46.98 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -59.55 -46.22 89.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.4 -18.06 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.69 49.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.526 ' CD ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -109.67 30.35 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 97' ' ' THR . 5.4 tt -122.61 -42.15 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.896 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -69.73 -43.93 22.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.95 -18.25 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CB ' HG11 ' A' ' 86' ' ' VAL . 12.4 mt -95.6 -44.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.08 -29.53 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.896 ' CE1' HD11 ' A' ' 107' ' ' LEU . 34.5 m170 -89.69 22.38 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -124.49 -29.53 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -141.68 128.46 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -114.84 162.02 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.05 166.56 14.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p 38.78 42.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -124.17 164.34 19.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.1 38.01 4.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -168.28 116.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.59 141.55 50.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.816 ' OE1' HD12 ' A' ' 12' ' ' LEU . 2.5 pp20? -49.45 146.25 4.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -93.65 129.7 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.816 HD12 ' OE1' ' A' ' 10' ' ' GLU . 7.1 mt -153.18 158.79 42.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 21.76 16.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 14' ' ' THR . 11.5 m -123.42 46.65 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -48.04 152.51 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.79 37.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' HB1' ' A' ' 71' ' ' ALA . 2.7 p -70.15 -46.43 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -61.17 -38.83 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.63 -31.97 68.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.553 HD11 ' HD1' ' A' ' 68' ' ' PHE . 27.6 mt -76.53 -47.07 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.58 -39.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.22 -36.97 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -62.64 -47.55 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.994 HD12 ' HA2' ' A' ' 88' ' ' GLY . 25.4 pt -68.87 -28.97 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -69.96 -48.3 58.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.67 -57.3 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -61.77 179.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 -39.37 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -147.93 119.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 95.8 t -120.76 129.0 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.437 HD11 ' CE2' ' A' ' 47' ' ' PHE . 97.1 mt -113.34 99.62 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 64.2 m-85 -88.36 104.51 16.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 6.7 p -138.57 170.58 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' CG ' HG21 ' A' ' 81' ' ' VAL . 9.2 ptpt -118.19 -174.5 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -111.65 41.6 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.5 p -125.25 -6.33 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.76 165.17 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.3 p -91.4 -43.89 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.438 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 53.7 m-85 -48.45 -22.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 19.8 p -49.51 -37.44 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -77.07 -38.2 53.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 mmm -47.35 -57.68 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.24 -51.87 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HG21 ' A' ' 56' ' ' VAL . 9.5 mttm -56.85 -48.18 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.73 -38.26 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.32 -58.04 10.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 31' ' ' ILE . 74.4 m-85 -65.98 -51.72 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -45.34 -47.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.25 -32.54 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.6 mtp -77.8 -8.69 58.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.56 32.28 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -104.27 105.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -39.63 112.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -117.89 166.22 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -134.58 105.74 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -98.58 154.15 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -142.11 119.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -86.05 111.48 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.6 mt -78.63 -39.07 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -48.19 -45.23 33.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -75.96 -34.32 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 59' ' ' LEU . 36.0 mt -60.11 129.11 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -54.74 -45.2 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.75 38.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.43 -49.85 42.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -51.12 -20.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.85 -71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.553 ' HD1' HD11 ' A' ' 20' ' ' ILE . 87.2 m-85 -54.87 -15.65 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.41 -43.76 72.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.44 -54.86 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -39.44 -45.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.3 -48.68 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -47.65 -26.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -84.24 -34.19 23.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 mtm -77.24 -18.1 57.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 p -112.31 -36.14 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 -6.25 63.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -130.91 176.62 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -130.2 49.95 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.05 155.26 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -136.8 159.21 71.14 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 111.101 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 -179.19 18.49 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.317 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.82 113.07 13.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.15 129.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -122.4 118.46 28.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.55 121.95 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.09 40.45 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.994 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 59.44 26.12 61.51 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.3 m -134.73 124.2 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -69.51 75.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -51.42 -20.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.65 -170.88 26.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.93 -159.11 29.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.64 -58.06 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.078 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.39 -58.52 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.747 ' HA ' HD12 ' A' ' 100' ' ' LEU . 87.5 m -49.25 -39.73 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.52 -44.05 92.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -62.6 -45.08 94.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 97' ' ' THR . 29.8 mt -49.12 -61.24 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -41.59 -41.12 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -63.77 -49.9 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.58 -5.31 52.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.06 29.94 63.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -103.01 13.3 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 97' ' ' THR . 6.3 tt -118.62 -39.39 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.618 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -62.76 -43.77 84.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.1 Cg_exo -48.01 -26.73 7.97 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.67 -41.29 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 106' ' ' LEU . 97.7 t -53.35 -29.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.524 ' NE2' HD11 ' A' ' 107' ' ' LEU . 3.0 m-70 -95.38 27.44 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.97 -45.28 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.21 -49.75 16.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -77.67 -37.26 50.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.31 148.99 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt 68.37 46.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' SER . 1.7 mmmp? -122.55 -50.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' LYS . 1.8 t -36.64 141.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -50.95 126.83 17.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -154.63 164.67 38.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 83.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.34 137.02 16.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 123' ' ' PHE . 51.0 p90 -88.79 124.99 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -120.89 143.88 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.6 p -66.88 116.77 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -139.22 146.73 18.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.98 64.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.685 2.256 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.4 t -169.74 138.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -127.2 -60.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 67.67 42.11 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -118.41 153.85 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.83 46.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -121.35 147.54 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -118.32 121.1 39.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.34 114.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.1 p -108.44 81.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.962 0.411 . . . . 0.0 110.826 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.7 mm? -109.51 137.05 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.25 96.69 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -119.13 165.48 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.19 79.66 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.25 21.89 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m 39.51 51.64 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -57.45 163.64 3.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 111.068 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.78 -45.79 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -48.21 -39.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 92.4 m-20 -60.18 -47.09 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -57.57 -23.4 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.5 mt -85.78 -41.41 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.12 -36.18 74.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' THR . 9.9 pt-20 -70.93 -32.74 69.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 58.7 m -72.24 -46.66 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.745 HD12 ' HA2' ' A' ' 88' ' ' GLY . 39.8 pt -68.73 -34.28 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -70.07 -42.74 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -75.67 -43.86 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.22 160.62 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.33 -53.57 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.6 t -127.52 140.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 96.2 t -134.1 123.23 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 56' ' ' VAL . 87.4 mt -112.13 109.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 86.5 m-85 -98.7 112.63 24.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -120.25 162.55 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.5 ptmm? -122.78 31.18 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.0 p 33.69 49.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 t -133.74 -44.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 m -90.14 165.77 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 p -89.28 -35.27 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -53.83 -18.66 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' C ' ' HZ2' ' A' ' 44' ' ' LYS . 31.2 p -52.07 -40.86 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.1 t -73.92 -43.36 58.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' THR . 36.5 mtp -43.05 -49.98 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.58 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.58 ' HE3' HG21 ' A' ' 56' ' ' VAL . 32.9 mttp -51.61 -54.79 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.73 -44.34 81.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.25 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.32 -45.09 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -47.35 -50.46 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.85 -27.65 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 mtp -80.83 -12.12 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 65.83 38.03 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.7 t -110.38 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 68.8 m-80 -34.42 116.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -118.63 172.18 7.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -136.66 105.81 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.58 HG21 ' HE3' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -92.13 145.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 42.2 t -139.83 109.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -77.93 115.07 17.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 62' ' ' LEU . 83.2 mt -81.93 -53.15 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -37.58 -38.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -81.49 -36.41 29.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 59' ' ' LEU . 17.2 mt -53.98 126.64 23.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.89 -43.52 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -98.68 40.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.32 -53.8 36.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -49.09 -23.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.16 -70.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -54.07 -15.71 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.66 -47.34 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -64.88 -51.35 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.22 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' MET . 30.4 mt -62.52 -54.16 44.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HB2' ' A' ' 79' ' ' ARG . 5.2 t80 -41.27 -34.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -79.02 -36.81 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' LEU . 14.9 mtm -83.78 -11.17 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.501 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 32.9 p -111.2 -28.53 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.56 29.92 8.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 80' ' ' THR . 3.1 tp10 -122.56 -43.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 12.7 ttp85 69.89 47.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -152.49 167.47 28.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.503 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -137.34 159.29 70.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 175.91 34.67 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -120.85 116.33 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.17 139.56 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CZ ' HG22 ' A' ' 76' ' ' THR . 36.5 m-85 -133.68 119.14 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.0 t -114.71 122.45 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 54.88 37.17 28.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.85 41.93 93.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.4 m -149.7 137.98 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 64.6 t80 -82.49 92.09 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.659 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -76.9 -19.67 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.22 -159.85 28.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.37 -161.64 11.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -55.17 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.36 -63.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 100' ' ' LEU . 90.9 m -44.86 -41.96 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -70.51 -47.4 60.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 97' ' ' THR . 36.5 mt -44.04 -50.46 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -57.46 -37.04 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.86 -60.22 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CB ' ' HE2' ' A' ' 105' ' ' LYS . 4.5 mm-40 -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 96.63 19.16 28.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.426 ' HE2' ' CB ' ' A' ' 103' ' ' GLU . 9.9 mtmt -92.86 9.94 33.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 97' ' ' THR . 5.0 tt -112.41 -42.8 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.94 -29.34 11.66 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -88.68 -46.68 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.96 -41.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.49 ' NE2' ' CD1' ' A' ' 107' ' ' LEU . 6.7 m-70 -64.86 -48.27 74.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.02 -35.14 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.47 -54.07 50.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.558 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 3.8 p90 -111.93 34.3 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -60.57 118.71 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -53.99 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -57.75 122.23 12.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.1 t -137.12 135.4 37.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -94.12 142.45 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -134.64 177.9 7.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -168.71 126.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.42 142.74 49.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.21 149.65 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.444 ' C ' ' CD ' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -92.91 119.51 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.1 p -105.28 114.36 28.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.69 169.65 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.08 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.4 p -92.71 169.19 10.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.7 t -113.63 83.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -133.03 -59.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -63.65 121.35 13.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.94 -120.54 5.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t 61.89 42.35 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -88.95 82.82 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.21 -157.12 10.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m -64.71 165.78 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 pp -143.33 150.61 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.89 -45.65 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -125.12 167.07 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.6 131.62 46.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.78 21.89 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 14' ' ' THR . 17.8 m 39.85 37.64 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -42.84 165.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.78 -47.98 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 9.8 p -46.21 -44.34 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.497 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.8 m-20 -54.86 -48.38 73.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -52.88 -38.8 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 68' ' ' PHE . 41.0 mt -69.58 -53.22 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -41.6 -35.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.17 -40.19 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 87.0 m -63.06 -40.64 98.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.719 HD12 ' HA2' ' A' ' 88' ' ' GLY . 37.8 pt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -75.92 -44.94 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -71.52 -54.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.89 152.66 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -78.52 -33.83 47.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -155.55 124.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -116.75 130.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.74 100.22 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 48.5 m-85 -88.57 106.69 18.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.4 m -115.34 170.82 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.8 ptmm? -134.16 29.05 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.541 HG21 HD21 ' A' ' 61' ' ' LEU . 18.9 p 34.75 47.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -123.19 -43.4 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.22 166.9 12.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 41' ' ' THR . 36.2 m -88.0 -23.08 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 9.8 m-85 -68.77 -17.48 64.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 19.2 p -58.67 -23.5 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' SER . 1.5 t -95.01 -35.34 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 39' ' ' TYR . 13.6 ptm -68.14 -30.76 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.94 77.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.3 mppt? -64.34 -50.78 66.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -49.92 -46.53 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -48.95 -59.32 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -64.13 -37.85 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -52.65 -56.16 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.17 -28.82 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.411 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 36.0 mtp -78.06 -7.19 56.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.47 27.29 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.6 t -97.45 94.71 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 49.9 t30 -35.17 114.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -117.82 171.9 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.98 105.93 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.29 135.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 39.5 t -132.56 99.9 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' CB ' HD23 ' A' ' 61' ' ' LEU . 38.1 mm-40 -78.13 115.06 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.0 mt -79.69 -40.68 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 8.8 t70 -48.13 -39.78 21.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -82.56 -24.17 34.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 59' ' ' LEU . 21.4 mt -67.11 154.94 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.68 -38.49 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -102.25 39.27 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.3 -59.64 7.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.19 -24.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -74.44 -72.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 20' ' ' ILE . 17.4 m-85 -55.84 -25.9 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.78 -40.76 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 74' ' ' LYS . 37.8 t0 -74.49 -56.74 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 17' ' ' VAL . . . -47.45 -32.91 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.68 -41.92 62.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -52.68 -27.52 17.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -76.88 -53.35 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.1 mtm -55.54 -39.12 70.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 p -89.79 -49.35 6.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.13 14.41 24.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -161.31 166.14 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -110.62 50.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -102.68 156.0 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -146.81 158.46 45.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 111.115 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.75 177.02 30.28 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.365 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -125.43 112.05 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.55 132.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.33 120.57 28.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.473 HG23 HD12 ' A' ' 91' ' ' ILE . 73.2 t -108.34 129.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.74 35.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.719 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.75 47.34 48.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.4 m -155.15 126.02 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -71.65 107.95 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -97.37 -16.46 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.0 174.96 18.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.09 -162.71 37.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -54.81 -35.07 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -75.89 -69.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -43.22 -55.29 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.48 ' HA ' HD12 ' A' ' 100' ' ' LEU . 54.9 m -51.0 -41.38 59.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.531 ' CE1' ' HE3' ' A' ' 102' ' ' LYS . 2.4 t60 -62.07 -40.23 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -67.58 -53.19 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 97' ' ' THR . 65.5 mt -39.11 -57.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.411 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 17.6 t60 -46.4 -41.65 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HE3' ' CE1' ' A' ' 98' ' ' HIS . 28.1 mttt -67.83 -38.59 83.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.52 6.16 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 64.58 25.07 69.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -97.6 0.83 48.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.583 HD23 HG23 ' A' ' 110' ' ' VAL . 6.2 tt -107.06 -39.08 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -59.97 -43.84 95.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.92 -23.56 4.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.403 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.69 -44.04 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.583 HG23 HD23 ' A' ' 106' ' ' LEU . 94.6 t -46.61 -39.23 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.649 ' CE1' HD11 ' A' ' 107' ' ' LEU . 2.1 m-70 -74.86 -59.58 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' HIS . 7.3 mm100 -34.4 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' HIS . 15.3 t -63.93 -62.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 2.6 p90 -99.37 21.25 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 111' ' ' HIS . 12.7 tp -67.22 162.03 23.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -37.64 155.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.4 tttp 71.08 43.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LYS . 26.1 p -127.75 171.85 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' SER . 27.4 mmtt -36.93 148.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.434 ' NE ' ' N ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -55.79 158.26 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -173.93 130.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -101.77 79.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.11 179.73 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 125' ' ' SER . 32.6 mt-30 -98.55 -50.94 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 124' ' ' GLN . 5.3 t 34.71 41.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.0 83.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -176.18 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.2 t -44.66 124.99 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.3 m -105.15 177.24 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -56.46 132.3 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -74.74 146.56 42.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.5 80.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -153.81 128.27 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -160.53 171.19 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.88 166.58 14.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -134.52 120.7 20.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.01 141.65 37.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.3 -22.69 30.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -162.08 167.25 24.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mp -85.88 98.12 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.11 21.62 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.06 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m 42.13 49.49 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.37 150.27 17.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' HB2' ' A' ' 71' ' ' ALA . 53.6 Cg_endo -69.75 -49.31 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.66 -34.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.5 -23.41 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HD1' ' A' ' 68' ' ' PHE . 57.0 mt -85.55 -48.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -46.65 -33.45 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -72.89 -41.39 64.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -61.95 -40.56 95.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.4 pt -77.31 -16.32 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -78.77 -53.6 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.56 -39.18 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -89.2 -177.9 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.55 -36.58 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.93 122.35 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 32' ' ' PHE . 84.7 t -123.74 110.17 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.8 mt -99.62 107.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 30' ' ' VAL . 38.2 m-85 -97.85 109.07 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 p -118.64 167.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 81' ' ' VAL . 9.9 pttt -135.03 37.26 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.903 ' CG2' HD21 ' A' ' 61' ' ' LEU . 45.4 p 30.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 t -128.31 -40.13 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.33 128.92 44.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.5 m -51.38 -40.88 60.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -46.66 -21.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -46.67 -47.03 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -71.64 -35.93 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -53.22 -42.07 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.58 -59.25 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -48.52 -44.19 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -70.83 -46.24 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.4 tp -42.92 -60.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -63.88 -44.42 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.37 -51.53 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.65 -36.67 84.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 mtp -75.6 -7.01 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 58.73 35.67 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.8 t -104.69 101.69 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.4 t-20 -35.26 112.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.48 170.45 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -135.84 105.8 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.07 130.33 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 47.3 t -126.06 99.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.877 ' HB3' HD23 ' A' ' 61' ' ' LEU . 60.9 mt-10 -68.99 127.59 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 68' ' ' PHE . 46.4 mt -95.2 -46.44 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -21.05 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.903 HD21 ' CG2' ' A' ' 35' ' ' THR . 2.8 mm? -91.66 -35.87 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.15 164.39 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.43 -29.97 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -109.89 33.56 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.62 -46.92 93.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -49.66 -25.78 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -79.27 -72.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HD1' HD11 ' A' ' 20' ' ' ILE . 15.9 m-85 -50.98 -18.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -36.87 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.04 -45.59 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -57.39 -34.34 68.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -76.84 -49.25 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 16.4 t80 -47.31 -27.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -77.31 -50.34 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 mtm -60.53 -24.46 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.408 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 11.7 p -104.49 -27.44 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 86.27 -16.93 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.02 157.06 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD ' ' A' ' 79' ' ' ARG . 2.3 ppt_? -100.91 39.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.7 p -94.08 120.7 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.769 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -114.2 159.08 37.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.73 -178.51 16.84 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.365 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -128.28 112.97 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.35 133.51 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HZ ' HG22 ' A' ' 76' ' ' THR . 41.8 m-85 -128.62 120.14 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 HD12 ' A' ' 91' ' ' ILE . 55.1 t -103.67 120.19 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 50.96 36.51 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 72.13 42.97 49.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.99 141.05 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -84.4 105.35 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.784 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -94.53 -17.76 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.19 161.97 9.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.04 -169.03 30.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -41.7 -66.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -44.56 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -44.37 -64.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 14.7 m -40.65 -43.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -63.81 -45.32 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.67 -44.29 90.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 97' ' ' THR . 95.3 mt -47.7 -50.93 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -57.34 -41.17 79.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.93 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.86 -31.34 71.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.8 51.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -130.09 10.15 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.1 tt -109.11 -49.59 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -58.19 -43.84 98.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.6 Cg_exo -48.0 -21.37 2.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.28 -44.02 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.8 t -46.38 -41.01 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.665 ' O ' HD23 ' A' ' 115' ' ' LEU . 3.4 m-70 -73.71 -40.9 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -48.59 -21.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.7 t -68.28 -56.28 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.806 ' CE1' HD22 ' A' ' 115' ' ' LEU . 1.5 p90 -70.13 -30.15 67.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.806 HD22 ' CE1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER -40.08 123.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 117' ' ' LYS . 6.7 ptmm? 41.14 48.78 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' LYS . 34.3 mttt -34.68 138.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 t -91.32 34.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -161.75 163.41 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -113.32 89.18 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -101.44 148.45 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -77.76 154.65 31.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -100.91 96.89 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -56.02 141.7 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.4 p -130.91 96.95 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -121.53 -76.14 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 m -87.66 168.44 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.2 p -53.24 -57.61 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.523 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -144.18 167.48 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.5 m -74.84 128.17 34.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.13 47.21 5.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -161.81 164.36 28.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 p -44.98 150.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.79 -104.71 0.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -163.16 129.1 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . 13.9 mt -149.82 161.91 41.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . 13.9 pt-20 -34.93 -42.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 12.0 p30 -58.96 153.24 17.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -82.17 -4.77 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' THR . . . 51.56 24.97 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' ALA . 7.2 m 34.29 45.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . -46.24 152.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.97 37.29 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.5 p -71.35 -49.94 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.601 ' N ' HG13 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -54.72 -44.6 73.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -51.97 -34.18 41.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mt -80.39 -43.16 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 41.3 mt-30 -49.95 -39.19 39.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -41.99 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 25' ' ' SER . 32.1 pt -60.94 -36.12 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 m -72.24 -54.28 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.0 -66.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -61.09 153.96 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -73.58 -56.05 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -133.74 125.97 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.73 125.89 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' HB ' HG23 ' A' ' 56' ' ' VAL . 26.7 mt -115.32 115.7 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -101.49 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -120.61 149.56 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.879 ' HG2' HG21 ' A' ' 81' ' ' VAL . 12.5 pttt -116.33 33.69 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 57.2 p 33.61 46.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -127.67 -45.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.3 t -90.14 137.57 32.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -58.43 -39.89 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 40.6 m-85 -46.7 -22.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' THR . 10.3 p -48.7 -44.53 38.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 3.5 t -72.65 -31.05 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtp -63.33 -41.32 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -57.27 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HE2' HG21 ' A' ' 56' ' ' VAL . 56.2 mttt -57.5 -53.55 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -54.22 -43.03 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 tp -52.69 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -49.66 -46.23 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -49.16 -40.05 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.21 -35.8 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.58 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 13.4 mtm -74.02 -7.01 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 59.87 33.99 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASN . 71.5 t -103.25 97.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.0 t-20 -34.24 110.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -118.91 172.14 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -136.24 105.92 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 31' ' ' ILE . 1.2 p -98.26 145.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.5 t -133.24 111.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -78.99 108.69 12.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.606 HD23 HD12 ' A' ' 62' ' ' LEU . 38.0 mt -76.29 -49.71 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -45.41 -33.08 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.48 -26.15 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 59' ' ' LEU . 13.8 mt -64.05 120.46 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.24 -35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -105.49 36.28 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.12 98.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.19 -21.23 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.9 -67.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -62.77 -44.47 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.13 -47.73 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.63 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 30.5 mt -62.38 -57.2 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -40.04 -27.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.5 mtpt -78.92 -48.11 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.6 mtm -70.92 -19.41 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.699 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 18.1 p -104.0 -31.48 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 -30.19 7.66 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -130.78 152.21 50.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -89.13 50.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.5 p -95.74 140.95 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.879 HG21 ' HG2' ' A' ' 34' ' ' LYS . 3.2 m -137.51 154.42 75.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.716 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.74 177.35 29.12 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.372 -0.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -127.59 114.73 17.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.06 143.35 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.699 ' HZ ' HG22 ' A' ' 76' ' ' THR . 25.1 m-85 -141.83 119.21 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.23 113.35 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 62.79 26.53 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 43.44 10.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.51 130.74 13.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -75.74 90.52 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -74.72 -17.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.73 166.03 11.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.85 -161.06 8.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -54.93 -63.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -47.39 -66.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.43 -58.56 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.684 HG23 HD11 ' A' ' 106' ' ' LEU . 3.5 m -46.54 -43.23 16.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -63.76 -39.65 94.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -68.21 -45.21 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 97' ' ' THR . 67.1 mt -46.72 -52.42 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.58 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 78.5 t60 -47.75 -43.96 27.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.25 -52.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 38.5 mt-10 -62.93 -11.57 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.23 27.5 59.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 10.0 mttp -111.43 18.53 19.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 97' ' ' THR . 4.7 tt -121.96 -44.1 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -61.3 -43.81 91.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.96 -23.94 4.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.65 -44.53 6.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 106' ' ' LEU . 72.2 t -45.51 -31.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.549 ' NE2' HD11 ' A' ' 107' ' ' LEU . 4.2 m-70 -81.3 -52.52 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -51.71 -29.55 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -34.04 71.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -135.04 34.38 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 116' ' ' LYS . 1.5 tt -91.46 159.41 15.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.721 ' N ' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER 71.69 44.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' SER . 19.4 mmtm -132.51 -179.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 117' ' ' LYS . 93.0 p -34.69 -35.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 117' ' ' LYS . 7.4 tmtm? -100.6 114.42 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -137.73 118.79 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.43 179.08 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -98.67 117.8 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -170.4 156.81 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -118.84 169.44 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.3 p -163.91 177.98 8.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.92 92.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.36 19.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 t -112.4 174.8 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -151.39 165.47 33.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -156.75 144.0 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -133.77 163.19 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.39 165.9 2.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -156.04 147.32 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 m -94.26 91.41 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.74 -164.92 12.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -145.49 148.39 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.27 162.54 35.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.61 142.12 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -171.28 173.12 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -93.95 125.49 38.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.0 105.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 14' ' ' THR . 16.8 m -95.53 40.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -51.86 164.26 0.57 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.722 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -45.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.8 p -48.36 -45.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.5 m-20 -52.09 -48.67 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -54.38 -35.66 63.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -75.8 -43.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -58.48 -40.85 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.0 pt-20 -71.46 -40.92 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 HG21 ' A' ' 30' ' ' VAL . 58.6 m -57.13 -51.04 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.88 HD12 ' HA2' ' A' ' 88' ' ' GLY . 45.1 pt -59.19 -38.43 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 24' ' ' ILE . 55.0 m -68.83 -47.45 65.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.76 -62.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.49 173.81 6.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 m -93.51 -50.34 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 64.3 t -133.53 126.94 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.664 HG21 HG22 ' A' ' 23' ' ' THR . 58.7 t -123.99 111.68 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.596 HD11 ' CD2' ' A' ' 47' ' ' PHE . 20.7 mt -98.06 127.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 72' ' ' LEU . 70.5 m-85 -110.15 115.4 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 p -129.14 151.83 49.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 81' ' ' VAL . 22.0 pttt -118.16 34.21 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 41.5 p 33.63 46.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.7 m -128.92 -45.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 3.9 t -94.21 129.62 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' TYR . 13.3 t -41.39 -52.93 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 47.6 m-85 -35.49 -37.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' TYR . 28.6 p -34.09 -44.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 42' ' ' MET . 12.6 t -76.41 -44.85 34.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 41' ' ' THR . 14.5 mtp -41.32 -49.64 3.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.41 -57.31 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 56' ' ' VAL . 29.6 mttm -52.33 -55.03 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -56.89 -46.11 82.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -49.03 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 73.2 m-85 -62.15 -47.9 82.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.16 -51.48 18.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.28 -35.44 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 mtp -77.68 -12.19 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 62.07 33.74 16.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' ASN . 97.0 t -102.39 101.43 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.2 p-10 -34.83 109.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -117.19 172.08 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -134.4 105.62 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG11 ' NZ ' ' A' ' 44' ' ' LYS . 1.2 p -99.3 142.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -129.05 113.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -81.43 101.32 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 72' ' ' LEU . 79.8 mt -69.77 -51.34 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -46.09 -47.49 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.41 -40.63 70.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.9 131.26 26.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.14 -36.18 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.14 40.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.92 61.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -48.33 -35.37 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.82 -71.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.39 -23.38 37.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.44 -46.74 87.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.3 -53.76 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.88 -52.48 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' THR . 31.3 mt -56.96 -45.47 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -54.21 -31.14 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -80.13 -50.36 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.924 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.9 mtm -68.2 -20.02 64.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.706 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 29.3 p -102.3 -38.56 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.48 8.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 174.98 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -106.48 45.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.718 ' O ' HG13 ' A' ' 81' ' ' VAL . 66.8 p -95.71 165.29 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 80' ' ' THR . 2.5 m -164.97 155.41 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.81 -178.6 17.16 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.334 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.648 ' NH2' ' CZ ' ' A' ' 90' ' ' PHE . 24.2 mmm180 -137.87 117.59 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.91 139.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.706 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.8 m-85 -134.76 118.02 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 29' ' ' VAL . 98.0 t -108.57 133.78 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 44.7 47.75 8.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.88 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.52 33.85 83.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -143.36 143.34 31.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 77.8 t80 -91.04 87.67 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -62.57 -23.35 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.518 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . 144.18 165.88 11.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.31 -172.94 4.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.45 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.19 -58.62 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 m -51.73 -58.68 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -64.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 106' ' ' LEU . 29.1 m -42.42 -41.63 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.09 -48.22 82.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -59.17 -50.0 75.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 97' ' ' THR . 86.4 mt -42.88 -56.14 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -46.37 -50.95 15.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.22 -62.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.31 -22.56 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.44 49.6 2.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -122.5 -6.01 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 106' ' ' LEU . 4.1 tt -97.55 -53.63 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.69 -44.04 98.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.9 Cg_exo -47.96 -32.59 18.29 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.09 -34.66 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.79 -60.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.403 ' NE2' HD11 ' A' ' 107' ' ' LEU . 3.7 m-70 -52.71 -52.37 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.758 ' HA ' HD12 ' A' ' 115' ' ' LEU . 11.1 mm100 -41.12 -47.25 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.1 t -42.37 -41.9 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.6 p90 -131.6 78.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 112' ' ' GLN . 12.6 mt -131.8 -44.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.74 -46.12 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -47.82 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 83.3 p -96.81 158.35 15.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.8 122.15 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -89.81 90.47 8.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -59.45 164.47 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.39 156.77 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -125.58 175.69 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -110.42 152.26 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 m -103.25 168.78 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.64 -144.54 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 134.19 27.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.0 t -138.4 173.87 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.8 t -108.65 141.52 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -139.83 120.71 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -173.48 149.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.04 48.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 p -134.93 134.87 41.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 m -39.63 -58.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.34 172.46 26.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.6 p -135.47 164.29 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 175.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -169.14 136.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -59.64 147.43 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.09 93.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.74 23.48 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m 40.63 50.02 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -62.15 164.35 11.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.721 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.3 Cg_endo -69.79 -41.71 4.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.8 p -55.6 -38.46 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -60.49 -51.07 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -47.88 -35.13 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 17' ' ' VAL . 18.3 mt -73.94 -51.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -41.72 -37.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.81 -37.67 73.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.568 HG22 HG21 ' A' ' 30' ' ' VAL . 26.3 m -59.84 -49.44 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 25' ' ' SER . 36.1 pt -60.56 -32.17 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 27.2 t -65.13 -59.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -56.51 13.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -82.39 95.59 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -40.27 -32.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.24 128.51 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.717 HG11 ' CE2' ' A' ' 32' ' ' PHE . 75.7 t -134.44 118.3 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.13 101.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.717 ' CE2' HG11 ' A' ' 30' ' ' VAL . 58.8 m-85 -88.89 105.94 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p -110.81 167.27 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HE3' ' CB ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -112.78 4.22 16.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p 48.27 45.84 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -130.06 -34.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' CB ' ' HE3' ' A' ' 34' ' ' LYS . 11.9 t -113.47 159.96 18.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 m -63.75 -37.15 86.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -43.34 -37.77 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -40.51 38.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 3.4 m -81.27 -30.44 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.0 mmm -59.31 -39.6 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -62.54 -66.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 3.8 pttp -59.84 -32.14 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' THR . 75.2 tttt -61.8 -38.66 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 98' ' ' HIS . 7.3 tp -67.53 -51.66 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.02 -39.99 96.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -52.44 -57.16 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.88 -33.3 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 mtp -75.87 -14.97 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 70.94 35.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.9 102.48 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -39.94 114.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 44' ' ' LYS . 35.6 p90 -117.05 171.81 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -133.62 105.78 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.44 133.03 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.4 t -122.7 115.25 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 61' ' ' LEU . 4.4 mp0 -78.67 102.83 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' LEU . 90.7 mt -70.97 -49.4 45.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.96 -36.86 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.705 HD22 ' CB ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.34 -35.53 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' LEU . 17.1 mt -57.5 148.61 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.76 -40.53 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -101.44 38.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.84 -47.74 86.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -56.88 -17.07 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.19 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.33 -30.48 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.12 -49.48 75.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.5 -58.33 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.7 -49.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' MET . 24.9 mt -60.89 -57.11 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CD2' ' C ' ' A' ' 78' ' ' GLU . 6.8 t80 -42.09 -29.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -80.46 -37.53 31.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtm -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.652 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 10.5 p -95.7 -43.1 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.32 -19.64 22.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -127.89 -176.42 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -111.79 -7.03 14.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.698 ' O ' HG13 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -44.35 167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -167.64 159.35 9.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.122 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.77 -179.92 20.53 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.315 -0.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.423 ' NH2' ' HA ' ' A' ' 79' ' ' ARG . 47.9 mtt180 -114.22 113.57 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.07 129.13 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.652 ' HZ ' HG22 ' A' ' 76' ' ' THR . 11.0 m-85 -125.7 119.19 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 HD12 ' A' ' 91' ' ' ILE . 98.0 t -103.8 111.13 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.36 35.22 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.58 44.88 38.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -153.71 146.78 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.16 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -90.59 108.79 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.781 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.44 -19.36 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 170.87 17.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.25 -156.06 32.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.7 -70.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.92 -68.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.466 ' O ' HD12 ' A' ' 106' ' ' LEU . 99.3 m -40.19 -43.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.646 ' HA ' HD22 ' A' ' 46' ' ' LEU . 4.6 t60 -65.61 -49.17 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -39.57 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.0 mt -53.63 -52.59 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.51 -37.7 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -59.73 -55.24 36.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -68.81 -27.06 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.57 35.65 4.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -114.68 9.85 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 110' ' ' VAL . 7.9 tt -109.52 -48.92 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.629 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -57.22 -43.96 99.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.98 -34.58 23.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.03 -30.04 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 106' ' ' LEU . 70.9 t -58.08 -57.27 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 107' ' ' LEU . 6.9 m-70 -49.4 -40.8 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.46 -28.77 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.1 -39.83 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.5 p90 -132.39 69.08 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.3 mt -139.07 170.32 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt 56.12 50.82 12.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -104.64 91.8 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -97.68 167.81 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -50.7 -53.99 26.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.63 153.1 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -162.26 143.1 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 124' ' ' GLN . 0.7 OUTLIER -116.79 153.41 32.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -157.46 157.64 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -173.45 132.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -139.25 163.43 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -127.59 88.34 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 94.38 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.6 t -94.1 143.05 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.0 m -58.74 115.05 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -133.02 43.75 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -134.38 116.12 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.56 122.35 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -162.48 175.81 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -137.8 165.62 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.54 87.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -154.92 166.12 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD1' ' OE1' ' A' ' 10' ' ' GLU . 4.4 pp -125.54 1.95 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' OE1' ' CD1' ' A' ' 9' ' ' LEU . 1.6 pm0 -134.52 103.26 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.86 140.73 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.41 141.54 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.29 23.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -105.33 44.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -52.93 158.74 2.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.79 -40.26 5.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.302 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 18' ' ' ASN . 7.6 p -53.57 -41.87 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 17' ' ' VAL . 48.8 m-20 -55.4 -42.56 74.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 49.1 mm-40 -60.41 -31.45 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.4 mt -80.71 -48.73 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -47.27 -36.71 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.27 -42.29 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 m -58.14 -51.02 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 31.3 pt -60.96 -26.83 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -76.95 -57.82 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.76 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -78.54 161.73 26.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 99.9 m -83.82 -51.78 6.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.34 140.98 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.98 136.52 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -124.18 105.66 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -91.85 107.26 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -114.24 169.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.3 pttt -131.37 28.88 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.1 p 31.43 46.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -133.02 -40.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.37 167.51 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 m -87.07 -40.44 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 21.7 m-85 -47.57 -26.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.5 p -48.87 -24.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -92.46 -35.47 13.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 8.5 ptm -59.82 -41.7 91.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.91 -56.29 5.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 56' ' ' VAL . 61.1 mttt -55.01 -41.91 71.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -72.36 -36.56 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.85 -52.66 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.55 -46.89 68.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -47.86 -52.13 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.98 -33.99 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.407 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -75.59 -14.71 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 71.28 30.78 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 110' ' ' VAL . 84.8 t -103.82 98.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.9 t-20 -35.5 115.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -116.63 172.06 7.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 106.66 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -93.1 148.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -146.85 105.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.584 ' HB3' HD23 ' A' ' 61' ' ' LEU . 2.8 mp0 -78.57 115.32 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.83 HD11 HD12 ' A' ' 72' ' ' LEU . 86.3 mt -78.91 -43.56 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 61' ' ' LEU . 11.2 t70 -60.54 -12.47 10.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.654 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.3 -40.49 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.4 mt -55.31 161.86 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.43 -34.83 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -106.44 33.98 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.17 88.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.71 -24.29 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -82.83 -70.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.2 m-85 -52.17 -20.98 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.47 -43.15 73.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.46 -45.71 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.48 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.83 HD12 HD11 ' A' ' 59' ' ' LEU . 30.8 mt -66.59 -47.33 73.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -51.0 -25.08 4.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -84.19 -51.19 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.0 mtm -59.85 -19.78 53.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.681 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 15.1 p -104.01 -43.59 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.82 -22.78 31.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -128.7 159.57 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -99.57 50.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.799 ' O ' HG13 ' A' ' 81' ' ' VAL . 31.1 p -98.38 174.98 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 80' ' ' THR . 2.7 m -167.05 155.05 8.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.4 Cg_endo -69.76 -179.43 19.15 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.348 -0.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.96 114.69 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.06 138.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.681 ' HZ ' HG22 ' A' ' 76' ' ' THR . 23.4 m-85 -138.24 120.39 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.0 t -102.99 116.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 53.64 41.08 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 68.8 42.7 78.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.56 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.0 m -147.73 129.73 15.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.24 89.06 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.91 -25.34 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.3 13.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -68.82 169.45 42.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -36.04 -61.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -49.89 -68.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -40.68 -58.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.633 ' CG2' HD11 ' A' ' 106' ' ' LEU . 54.3 m -43.44 -53.74 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -50.24 -39.21 44.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -65.71 -43.52 88.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.6 mt -47.65 -51.29 22.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.407 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 9.7 t60 -53.77 -61.66 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -42.07 -47.67 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.99 -28.27 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.35 46.47 2.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -127.41 8.96 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.633 HD11 ' CG2' ' A' ' 97' ' ' THR . 3.4 tt -101.94 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.615 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.72 -43.87 98.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.91 -29.42 11.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.66 -40.3 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 52' ' ' VAL . 95.1 t -47.5 -44.11 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.461 ' CE1' HD11 ' A' ' 107' ' ' LEU . 5.6 m-70 -65.72 -41.49 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.671 ' OE1' HD22 ' A' ' 115' ' ' LEU . 15.1 mm100 -40.19 -37.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.6 t -50.89 -48.74 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.1 p90 -128.01 49.12 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.671 HD22 ' OE1' ' A' ' 112' ' ' GLN . 9.8 tp -79.26 166.16 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.1 tttm 69.64 47.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' LYS . 31.7 tttt -105.94 147.43 28.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -47.92 90.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -175.0 177.74 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.47 117.6 15.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -150.37 165.19 33.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.72 73.0 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.461 ' O ' ' CG ' ' A' ' 123' ' ' PHE . 3.2 p90 -47.16 124.96 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -173.81 137.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -127.5 172.35 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -148.34 65.28 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 96.34 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.2 t -83.71 81.57 8.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -38.12 138.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -94.05 135.21 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -151.23 129.47 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.91 165.16 16.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -112.71 157.3 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -121.12 117.99 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.5 43.77 18.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p -95.6 101.39 13.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.7 tt -110.64 -5.91 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 40.06 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -117.64 141.85 47.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.99 103.91 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.33 22.27 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 14' ' ' THR . 25.6 m -107.92 39.02 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -55.55 163.97 1.7 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.042 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.692 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.82 -41.9 3.8 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.6 p -52.26 -46.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.551 ' N ' HG13 ' A' ' 17' ' ' VAL . 17.1 m120 -54.09 -51.84 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -51.69 -37.35 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' THR . 34.9 mt -71.65 -54.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -39.61 -41.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.71 -38.93 92.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' ILE . 94.3 m -64.08 -48.44 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.513 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.4 pt -67.52 -34.98 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -60.36 -40.54 91.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.6 -63.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -73.7 158.28 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -85.38 -53.31 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.65 114.48 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 24' ' ' ILE . 79.9 t -114.56 110.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 47' ' ' PHE . 56.8 mt -101.19 100.24 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 20.4 m-85 -87.71 116.08 25.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -122.02 152.33 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' THR . 8.8 ptpt -119.74 27.53 8.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . 62.1 p 33.57 49.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.8 m -130.07 -45.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.94 171.63 9.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -82.45 -41.95 19.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 23.5 m-85 -48.52 -21.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 13.5 p -53.42 -22.99 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.2 t -95.08 -40.05 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 10.3 ptm -56.1 -41.68 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.42 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -53.28 -49.47 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.42 -35.88 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.89 -65.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 81.7 m-85 -64.7 -42.77 95.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -52.92 -52.39 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.15 -31.23 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.1 mtp -78.55 -10.95 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 m120 64.12 33.79 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 110' ' ' VAL . 93.7 t -105.13 99.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 26.1 t-20 -35.38 113.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -116.9 172.14 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -131.05 105.57 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.1 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 81.7 t -134.57 105.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.57 100.12 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 32' ' ' PHE . 32.3 mt -71.38 -52.08 20.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.43 -48.69 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -74.13 -39.23 63.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD22 ' CE1' ' A' ' 64' ' ' TYR . 17.5 mt -57.58 144.9 35.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 7.4 pt-20 -67.47 -25.2 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.76 ' CE1' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -108.21 35.93 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.86 -41.74 9.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.55 -12.82 48.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 64' ' ' TYR . 14.6 pt20 -95.09 -46.78 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' A' ' 20' ' ' ILE . 23.8 m-85 -78.68 -14.72 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.12 -37.04 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.21 -50.75 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -39.25 65.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 76' ' ' THR . 20.5 mt -63.72 -52.35 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -46.88 -28.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -80.4 -47.57 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 20.8 mtm -65.43 -20.22 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.5 p -97.88 -51.91 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.11 -14.98 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.94 173.6 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -102.04 42.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.6 p -96.84 117.61 31.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -120.26 157.85 52.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.75 179.54 21.99 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.331 -0.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG3' HG12 ' A' ' 81' ' ' VAL . 24.6 mtt-85 -122.81 120.87 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.8 135.76 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -132.98 122.5 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.93 107.59 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 66.44 30.6 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.23 41.57 21.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -147.24 127.6 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.159 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 50.7 t80 -75.1 89.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -73.03 -24.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.65 159.56 9.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -71.34 173.87 42.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -35.05 -60.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 m -48.16 -64.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -47.63 -59.05 3.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 100' ' ' LEU . 95.8 m -41.99 -44.02 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -59.91 -41.7 92.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -66.74 -49.48 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 97' ' ' THR . 71.1 mt -42.12 -57.06 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -47.95 -40.6 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -70.75 -52.41 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.78 -17.05 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.64 46.86 5.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -131.5 15.74 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.9 tt -116.34 -58.97 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.31 -43.69 99.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.1 Cg_exo -48.0 -25.28 6.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -95.81 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 52' ' ' VAL . 47.0 t -58.08 -34.73 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.888 ' O ' HD13 ' A' ' 115' ' ' LEU . 56.8 m170 -93.95 39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.475 ' OE1' HD22 ' A' ' 115' ' ' LEU . 5.8 mm100 -131.76 -39.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -60.96 -60.74 3.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.4 ' O ' ' CG ' ' A' ' 114' ' ' TYR . 1.3 p90 -88.24 20.66 3.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.888 HD13 ' O ' ' A' ' 111' ' ' HIS . 12.1 tp -62.22 161.51 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 tttp 70.62 52.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -100.56 128.03 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' LYS . 60.2 p -36.45 114.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -157.09 143.65 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -80.6 44.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -137.19 147.13 45.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -44.06 155.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -160.37 151.12 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -76.81 173.96 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.1 p -80.65 162.2 24.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -136.47 122.09 2.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.85 17.71 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 60.6 p -80.47 170.54 16.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.1 p -126.11 108.78 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m 49.65 42.45 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -118.23 137.2 53.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 41.34 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -77.52 84.32 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -68.59 -55.05 12.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.46 -168.06 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -101.35 -46.55 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -151.42 115.03 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -81.99 122.33 27.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -129.84 21.89 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.57 102.77 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.79 22.35 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -98.44 48.52 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -50.65 164.06 0.43 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.583 HG23 ' HB1' ' A' ' 71' ' ' ALA . 4.9 p -51.49 -36.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.05 -30.0 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.525 HG23 ' CZ ' ' A' ' 32' ' ' PHE . 29.5 mt -81.65 -41.62 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.07 -41.44 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.8 -32.5 74.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.527 HG22 HG21 ' A' ' 30' ' ' VAL . 97.4 m -69.29 -51.79 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.608 HD12 ' HA2' ' A' ' 88' ' ' GLY . 16.3 pt -64.55 -33.93 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -66.52 -39.33 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -82.42 -59.51 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -64.93 168.17 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -89.65 -48.93 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 47' ' ' PHE . 45.8 t -134.53 130.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 23' ' ' THR . 86.8 t -129.07 110.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 47' ' ' PHE . 72.6 mt -98.12 112.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' HG23 ' A' ' 20' ' ' ILE . 29.0 m-85 -98.67 109.32 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 p -117.79 153.39 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 35' ' ' THR . 11.0 ptmt -118.0 33.01 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.683 HG21 HD21 ' A' ' 61' ' ' LEU . 43.2 p 30.29 45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.459 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 33.0 t -122.89 -46.14 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.11 161.08 14.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -73.23 -28.07 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 60.2 m-85 -56.47 -15.62 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 18.2 p -55.75 -36.35 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' MET . 1.3 t -82.9 -39.2 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 30.7 mtp -48.47 -52.88 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 31' ' ' ILE . . . -55.65 -48.04 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.6 mppt? -60.13 -60.11 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -28.98 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 97' ' ' THR . 31.0 tp -64.85 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 31' ' ' ILE . 57.4 m-85 -63.47 -46.38 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -51.23 -55.75 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.58 -30.36 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 27.7 mtp -80.76 -13.66 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.93 34.2 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.9 t -105.88 101.83 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.7 t-20 -37.71 111.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -119.0 172.19 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.91 106.2 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -91.48 137.26 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -128.5 101.9 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.697 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.5 mt-10 -69.57 131.49 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 68' ' ' PHE . 12.9 mt -103.61 -43.54 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.43 -26.4 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 58' ' ' GLU . 1.2 mm? -93.91 -41.3 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 58' ' ' GLU . 11.6 mt -45.84 172.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -80.83 -56.46 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 2.3 p90 -91.75 38.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.53 -49.19 61.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -50.81 -24.27 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.73 -67.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CB ' HD22 ' A' ' 59' ' ' LEU . 3.4 m-85 -55.42 -15.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -74.01 -52.29 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.88 -49.36 65.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.22 -53.03 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.87 -60.44 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -41.33 -29.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -86.27 -40.02 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.426 ' CG ' ' CG2' ' A' ' 17' ' ' VAL . 10.6 mtm -61.06 -29.69 69.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -115.68 -52.52 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.8 -11.8 9.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -110.06 150.35 28.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 2.3 mtm180 -93.3 -33.2 14.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -37.35 153.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.501 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -144.96 159.2 50.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 111.128 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.74 -178.42 16.65 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.36 -0.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HD2' HG12 ' A' ' 81' ' ' VAL . 6.0 mpt_? -112.11 124.38 52.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 91' ' ' ILE . 4.6 mp -104.35 133.06 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 42.4 m-85 -136.33 136.6 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.451 HG23 HD12 ' A' ' 91' ' ' ILE . 91.5 t -120.25 109.06 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.5 OUTLIER 66.18 36.44 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.86 34.94 72.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -145.89 120.72 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 111.135 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 45.2 t80 -62.53 134.5 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -125.15 -13.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.55 165.84 11.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -82.08 -161.67 29.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -49.94 -54.74 17.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -59.91 -68.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.47 -55.71 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -50.54 -45.02 56.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -41.07 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 102' ' ' LYS . 68.6 ttt180 -64.35 -51.83 61.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 106' ' ' LEU . 89.4 mt -40.54 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.8 t60 -51.71 -33.82 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' ARG . 51.6 mttt -76.93 -56.46 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.28 -25.41 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.27 42.09 4.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -129.21 14.07 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 100' ' ' LEU . 4.8 tt -112.87 -46.15 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.762 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -65.12 -43.69 67.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 63.9 Cg_exo -47.96 -28.45 10.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.83 -43.87 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 106' ' ' LEU . 73.6 t -50.47 -34.45 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 107' ' ' LEU . 55.3 m170 -91.58 38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.558 ' HA ' HD12 ' A' ' 115' ' ' LEU . 43.8 mt-30 -130.32 -41.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 25.4 p -65.31 -38.58 90.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.623 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -73.74 -33.88 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 112' ' ' GLN . 12.0 mt -48.34 159.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -40.52 131.51 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -139.66 -177.84 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 p -92.83 162.24 14.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -63.18 165.04 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -133.78 144.29 48.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -80.43 148.51 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -106.64 152.99 23.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.08 136.43 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.45 153.82 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.9 m -121.2 121.87 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.12 -154.79 6.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.1 69.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 49.9 m -153.86 139.58 17.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.0 m -69.23 165.33 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -76.19 174.06 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -54.31 162.1 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.99 74.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 64.2 42.24 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 133.28 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.45 47.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -83.39 84.6 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.82 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.32 105.38 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.33 146.38 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -134.16 156.92 47.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -96.21 113.68 25.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.18 21.38 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m 45.94 47.07 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -66.55 161.64 57.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -43.34 2.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.9 p -52.91 -40.72 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 17' ' ' VAL . 38.7 m-20 -59.4 -47.3 85.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.04 -24.73 10.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.503 HG23 ' CE2' ' A' ' 32' ' ' PHE . 46.4 mt -87.72 -43.24 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.15 -23.78 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.7 pt-20 -85.3 -39.86 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 30' ' ' VAL . 33.8 m -63.5 -36.22 83.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.582 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.5 pt -75.49 -31.73 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.8 t -75.75 -59.33 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -51.86 -48.31 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -86.24 -176.01 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.0 -47.28 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.38 132.44 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 32' ' ' PHE . 97.0 t -128.8 111.2 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mt -94.91 99.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 30' ' ' VAL . 50.1 m-85 -87.5 104.57 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.3 p -140.1 172.0 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HE3' HG21 ' A' ' 81' ' ' VAL . 14.4 ptpt -122.25 -173.74 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.6 p -109.12 59.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -133.68 -39.68 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -95.97 160.0 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 p -79.03 -45.59 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' THR . 21.8 m-85 -45.72 -37.29 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -39.99 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.3 t -94.27 -38.65 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 10.8 ptm -54.93 -46.8 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.58 -51.84 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.61 -51.75 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -58.19 -45.73 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.01 -72.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.89 -38.18 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -48.96 -49.41 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -65.71 -28.15 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 9.9 mtm -81.58 -9.95 59.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 64.41 37.52 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.3 t -107.23 95.52 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' VAL . 69.9 m-80 -34.64 114.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -121.73 166.21 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -132.4 105.76 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.2 132.15 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.4 t -119.25 123.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -86.53 105.58 16.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.4 mt -72.98 -18.24 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.63 -57.38 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' H ' HD22 ' A' ' 61' ' ' LEU . 1.6 mm? -66.95 -27.37 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' GLY . 13.8 mt -59.94 108.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.7 -40.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -99.76 40.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -64.84 -51.04 55.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -53.08 -20.05 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -79.67 -70.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.52 -21.13 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.67 -41.1 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.84 -47.57 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.23 64.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' THR . 34.7 mt -66.7 -50.77 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.99 -18.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -87.77 -49.28 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.18 -14.77 63.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 72' ' ' LEU . 6.3 p -107.51 -40.14 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.3 53.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 80' ' ' THR . 6.9 tt0 -146.93 159.41 43.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -104.74 51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.523 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 54.2 p -106.78 107.56 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -95.5 160.45 30.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.684 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.71 -177.6 14.83 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.358 -0.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -136.15 115.42 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 91' ' ' ILE . 4.7 mp -98.03 138.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' HZ ' HG22 ' A' ' 76' ' ' THR . 29.8 m-85 -133.98 118.35 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 81.3 t -109.13 141.21 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' VAL . 34.5 t-20 35.02 47.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.18 39.61 97.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' VAL . 0.7 OUTLIER -128.44 -177.87 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.169 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 76' ' ' THR . 8.6 t80 -132.26 71.79 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -57.86 -18.92 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.63 -155.63 22.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.07 -159.31 25.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -55.97 -70.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.08 -68.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -44.04 -61.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.65 -51.91 67.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -59.05 -41.05 86.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 91' ' ' ILE . 40.5 mt -50.91 -55.03 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 74.5 t60 -53.14 -42.94 66.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -55.85 -67.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.52 -23.89 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.24 38.26 5.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.54 -3.52 16.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 110' ' ' VAL . 7.2 tt -99.97 -35.26 9.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.669 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.98 -43.89 88.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.94 -26.46 7.46 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.4 -43.26 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 106' ' ' LEU . 46.4 t -50.43 -37.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.669 ' CE1' HD11 ' A' ' 107' ' ' LEU . 2.4 m-70 -70.4 -21.64 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.498 ' HA ' HD12 ' A' ' 115' ' ' LEU . 78.1 mt-30 -76.4 -13.19 60.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -55.18 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 2.7 p90 -66.72 -30.79 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 112' ' ' GLN . 10.5 mt -39.06 154.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' LEU . 10.9 ptpt -35.69 -52.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.494 ' HB3' ' HZ2' ' A' ' 117' ' ' LYS . 4.7 mtpm? 40.04 49.23 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 117' ' ' LYS . 5.4 t -35.82 125.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -159.32 177.89 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -65.73 147.62 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.1 95.33 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -99.04 24.14 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -86.91 171.34 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -164.31 170.12 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.8 t -75.95 143.76 41.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.63 124.11 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.4 Cg_endo -69.79 -2.91 10.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' PRO . 1.1 t -36.39 118.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.7 p -104.32 -37.06 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -174.79 157.3 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -172.9 168.54 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 142.21 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -172.84 109.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -160.71 160.83 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.17 116.38 2.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' HD12 ' A' ' 9' ' ' LEU . 90.7 p -174.35 106.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 8' ' ' SER . 5.4 mp -144.47 173.54 11.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.36 145.81 44.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -162.05 178.99 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.3 124.77 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.04 105.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 14' ' ' THR . 15.3 m -82.57 37.73 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -43.88 159.15 0.24 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.2 Cg_endo -69.79 -43.25 2.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.63 -33.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.93 -31.9 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.658 HD11 ' HD1' ' A' ' 68' ' ' PHE . 59.5 mt -75.75 -40.12 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.52 -41.87 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -72.72 -36.68 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -63.76 -54.44 35.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.841 HD12 ' HA2' ' A' ' 88' ' ' GLY . 46.6 pt -52.3 -33.55 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' ILE . 40.8 t -70.9 -62.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.3 -58.16 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -77.74 151.66 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.0 t -70.21 -53.37 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -131.1 140.59 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 88.0 t -135.3 124.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 56' ' ' VAL . 39.0 mt -115.64 116.9 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.459 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 65.6 m-85 -103.64 106.72 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -117.71 145.42 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 pttp -108.94 34.5 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.3 p 32.86 42.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.7 m -119.6 -47.27 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -95.22 130.71 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' CYS . 6.1 m -46.12 -50.09 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 44.5 m-85 -37.53 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' SER . 31.2 p -39.69 -41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 t -76.08 -38.41 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.1 mmm -50.24 -56.06 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.06 -62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.85 -40.83 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -58.78 -33.19 70.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' ND1' ' A' ' 98' ' ' HIS . 16.1 tp -70.94 -55.63 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 31' ' ' ILE . 66.5 m-85 -63.12 -54.12 42.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.95 -45.24 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -65.51 -34.86 79.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 18.3 mtp -78.18 -8.02 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 62.02 35.81 15.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.8 t -105.38 103.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' VAL . 23.0 t-20 -38.01 110.45 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 44' ' ' LYS . 36.6 p90 -116.58 171.98 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -136.25 110.11 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HD2' ' A' ' 44' ' ' LYS . 1.2 p -102.28 140.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.5 t -128.26 113.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -79.67 99.86 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 62' ' ' LEU . 82.0 mt -71.08 -50.21 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 3.8 t70 -43.54 -47.12 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.31 -39.93 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 59' ' ' LEU . 35.4 mt -53.42 136.89 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -57.65 -41.14 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -98.8 37.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.56 29.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -47.57 -29.65 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.95 -72.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.658 ' HD1' HD11 ' A' ' 20' ' ' ILE . 31.9 m-85 -57.07 -25.46 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -61.4 -48.73 79.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.68 -57.17 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.87 -51.66 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' A' ' 20' ' ' ILE . 28.2 mt -56.78 -50.7 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -47.94 -29.02 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -79.24 -44.99 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 16.4 mtm -70.41 -25.12 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.607 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 28.4 p -99.29 -38.84 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.6 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 80' ' ' THR . 2.7 tp10 -123.21 153.99 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 17.4 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 78' ' ' GLU . 76.2 p -64.45 158.38 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -155.01 158.56 32.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.76 -178.1 16.0 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.333 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD3' HG21 ' A' ' 76' ' ' THR . 1.6 mmp_? -121.02 112.6 18.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 93' ' ' GLY . 5.2 mp -100.94 136.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.607 ' HZ ' HG22 ' A' ' 76' ' ' THR . 15.5 m-85 -135.49 118.22 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.678 HG23 HD12 ' A' ' 91' ' ' ILE . 95.0 t -99.38 121.33 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 48.59 40.33 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.841 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.37 36.53 78.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.5 m -144.22 126.15 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -74.52 112.83 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.791 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -102.86 -29.26 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.0 167.1 22.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -81.92 -156.97 18.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -51.95 -58.49 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.2 m -58.99 -71.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.17 -61.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.529 HG22 ' CD2' ' A' ' 46' ' ' LEU . 66.4 m -41.46 -49.0 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' HD13 ' A' ' 46' ' ' LEU . 2.5 t60 -56.81 -53.79 53.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -52.07 -53.55 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.0 mt -40.42 -58.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 55.3 t60 -51.6 -47.36 63.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -51.72 -64.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 53.03 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -126.34 -8.84 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 110' ' ' VAL . 6.0 tt -94.73 -55.93 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.63 -44.64 95.59 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.0 Cg_exo -47.97 -33.38 20.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.216 . . . . 0.0 112.41 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -88.2 -37.82 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.518 HG23 HD23 ' A' ' 106' ' ' LEU . 87.3 t -49.35 -53.63 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 115' ' ' LEU . 7.6 m-70 -54.01 -42.28 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.31 -55.17 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 114' ' ' TYR . 0.8 OUTLIER -40.47 -41.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 1.5 p90 -131.77 44.36 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 111' ' ' HIS . 9.3 tp -62.62 167.97 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 59.5 tttt -34.54 108.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' SER . 11.5 tptp -166.14 160.76 16.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 117' ' ' LYS . 44.2 p -33.94 109.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -143.57 164.71 29.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -113.65 138.01 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -49.86 148.42 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -155.64 162.18 40.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -148.67 176.18 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -164.03 146.85 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.5 p -114.91 175.3 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.88 146.04 13.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 p -155.63 177.21 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -128.2 175.51 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -57.27 143.77 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -103.71 108.09 19.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.95 170.65 18.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 t -114.81 103.79 11.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -152.88 123.91 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.58 83.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 t -124.08 134.49 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -140.12 159.41 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -118.64 43.26 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -163.97 144.44 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.64 92.83 2.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.98 23.9 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m 42.14 40.25 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -48.63 161.54 0.4 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.75 -38.79 7.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.45 -37.63 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -61.89 -46.93 87.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 26.4 mt-30 -51.57 -24.86 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.5 HG23 ' CE2' ' A' ' 32' ' ' PHE . 32.4 mt -88.26 -35.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -61.8 -36.68 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.28 -38.37 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.9 m -64.86 -50.9 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.56 HD12 ' HA2' ' A' ' 88' ' ' GLY . 41.1 pt -57.88 -32.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 24' ' ' ILE . 37.4 t -66.93 -59.75 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.79 -56.16 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -79.34 173.11 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.45 -56.47 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.6 t -119.9 125.02 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -126.02 113.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' CD2' ' A' ' 47' ' ' PHE . 33.0 mt -99.79 109.68 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CE2' HG23 ' A' ' 20' ' ' ILE . 22.5 m-85 -92.83 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.1 p -113.19 171.92 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.739 ' CD ' HG21 ' A' ' 81' ' ' VAL . 17.8 ptmt -131.36 25.01 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.652 HG21 ' CD1' ' A' ' 61' ' ' LEU . 3.1 t 32.13 45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 1.2 t -134.95 -41.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 81' ' ' VAL . 20.7 p -90.66 146.25 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -61.6 -28.22 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.408 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 35.4 m-85 -64.64 -16.2 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.4 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -67.59 -29.27 68.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 mmm -53.69 -57.89 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -61.51 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -46.57 -38.2 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -71.11 -49.64 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -45.94 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HD11 ' A' ' 31' ' ' ILE . 86.7 m-85 -57.21 -40.13 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -57.18 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -56.91 -33.46 66.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 mtp -77.2 -9.2 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 59.56 37.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 110' ' ' VAL . 86.9 t -105.94 103.54 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' VAL . 54.1 t30 -38.16 110.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -116.7 171.06 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -129.74 105.61 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.58 141.53 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 105.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.6 ' HB2' HD22 ' A' ' 61' ' ' LEU . 17.6 mt-10 -77.06 99.91 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 72' ' ' LEU . 30.6 mt -58.05 -48.17 80.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -45.2 -37.92 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 35' ' ' THR . 4.6 mp -72.69 -37.03 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.4 mt -58.08 161.71 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -80.28 -42.15 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -99.66 40.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.25 -42.6 95.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.5 -19.4 24.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -84.23 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.4 m-85 -58.65 -25.97 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.46 -47.73 82.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -44.76 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.57 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 76' ' ' THR . 23.7 mt -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.2 -27.83 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -84.24 -44.86 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.1 mtm -66.34 -22.59 66.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -101.51 -47.6 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.32 -24.04 11.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -131.76 162.69 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -96.39 51.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.1 p -108.14 117.79 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -114.93 156.92 44.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.79 -178.73 17.4 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HG2' HG21 ' A' ' 76' ' ' THR . 0.1 OUTLIER -117.24 113.37 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.31 131.93 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HZ ' HG22 ' A' ' 76' ' ' THR . 17.3 m-85 -133.52 121.61 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 91' ' ' ILE . 98.7 t -102.54 114.6 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 56.62 43.26 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.87 39.71 93.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.2 m -149.23 140.55 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.9 120.84 27.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.871 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -109.07 -23.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.85 166.59 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -85.7 -176.22 50.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -34.21 -61.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -53.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 99' ' ' ARG . 82.8 m-20 -46.12 -68.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.605 ' CG2' HD11 ' A' ' 106' ' ' LEU . 87.7 m -39.7 -45.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -42.38 95.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ASP . 31.4 ttt180 -67.57 -46.91 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 105' ' ' LYS . 82.1 mt -41.91 -51.45 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -54.74 -44.15 73.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -52.11 -56.59 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -67.47 -30.95 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.93 45.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.74 7.48 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 97' ' ' THR . 5.6 tt -102.91 -59.25 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -53.82 -44.19 97.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.7 Cg_exo -48.02 -29.67 12.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' HG11 ' A' ' 86' ' ' VAL . 16.4 mt -90.12 -37.3 14.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 52' ' ' VAL . 74.3 t -57.82 -42.33 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.708 ' O ' HD13 ' A' ' 115' ' ' LEU . 2.2 m-70 -92.31 56.07 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -134.8 -41.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.1 p -61.84 -55.2 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 114' ' ' TYR . 4.5 p90 -93.18 27.5 2.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 111' ' ' HIS . 9.9 tp -80.49 -43.35 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 117' ' ' LYS . 9.4 ttmt -48.66 164.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 116' ' ' LYS . 39.0 mtmt -34.36 132.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.0 t -161.44 -178.38 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -82.4 93.54 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -167.31 174.11 8.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 120' ' ' ARG . 1.4 mmmm -36.17 138.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.2 125.25 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -157.54 164.74 37.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -143.45 158.46 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.9 m -147.24 175.24 10.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -107.66 84.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.92 2.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.8 t -83.62 136.03 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -144.97 115.68 7.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -168.72 149.36 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.807 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -50.74 165.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.807 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.6 85.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -173.72 129.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -115.66 165.46 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.25 99.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.531 ' C ' HD13 ' A' ' 9' ' ' LEU . 11.0 t -150.79 145.74 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.28 165.22 27.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.79 14.58 15.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -145.49 147.35 32.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.6 114.02 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.74 19.55 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m 46.49 54.53 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -65.94 155.86 85.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 1.9 p -42.48 -45.25 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 5.3 m-20 -58.51 -49.69 76.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 87.3 mm-40 -47.14 -32.78 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.576 HG23 ' HZ ' ' A' ' 32' ' ' PHE . 32.9 mt -76.76 -48.84 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.11 -32.77 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 19' ' ' GLN . 5.0 pt-20 -80.56 -32.72 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 82.2 m -73.56 -37.53 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' HA2' ' A' ' 88' ' ' GLY . 29.0 pt -76.34 -16.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m -88.34 -29.62 20.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -81.56 -60.12 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -76.77 153.89 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -59.56 -69.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -118.46 148.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 94.1 t -126.25 109.5 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -98.59 105.03 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' HZ ' HG23 ' A' ' 20' ' ' ILE . 59.9 m-85 -89.36 107.02 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -120.46 152.78 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.536 ' CD ' HG21 ' A' ' 81' ' ' VAL . 3.5 pttp -120.42 28.85 7.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . 18.5 p 33.64 48.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.1 m -128.26 -45.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.41 140.2 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 41' ' ' THR . 22.0 m -57.98 -39.92 79.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -52.67 -24.9 9.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 p -57.72 -16.78 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 38' ' ' SER . 1.3 t -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.59 ' SD ' ' HB1' ' A' ' 94' ' ' ALA . 6.2 ptm -62.11 -47.0 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.12 -50.56 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -56.31 -49.12 75.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -64.83 -33.86 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD2' HG22 ' A' ' 97' ' ' THR . 46.9 tp -58.53 -64.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -64.93 -35.89 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.32 -57.04 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.5 -34.85 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.5 mtp -71.08 -13.59 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.45 31.83 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.596 ' CG1' HG11 ' A' ' 110' ' ' VAL . 34.4 t -104.03 112.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -52.92 116.76 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 29' ' ' VAL . 31.8 p90 -119.8 172.17 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -130.55 105.63 7.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.13 139.51 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.7 t -130.18 103.7 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -71.77 103.6 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.31 -49.6 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -47.45 -39.22 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.6 -30.15 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.18 134.32 55.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.91 -35.2 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -105.01 37.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -53.2 43.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -50.35 -18.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -86.82 -64.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.81 -14.21 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -73.9 -50.02 22.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.1 -44.21 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.74 -43.34 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.8 mt -65.79 -47.97 73.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 t80 -53.52 -22.58 8.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -82.69 -38.1 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.473 ' SD ' HG22 ' A' ' 17' ' ' VAL . 23.6 mtm -83.84 -13.99 52.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.604 HG21 HH12 ' A' ' 83' ' ' ARG . 4.9 p -117.44 -35.33 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 94.13 -20.23 48.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -104.25 163.91 12.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -128.92 26.82 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.98 154.06 17.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -134.81 159.01 73.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.177 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.78 -178.2 16.23 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.604 HH12 HG21 ' A' ' 76' ' ' THR . 1.0 OUTLIER -133.0 117.52 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.469 HG22 HD11 ' A' ' 91' ' ' ILE . 4.2 mp -98.22 130.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 32.3 m-85 -123.98 118.03 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -108.51 126.71 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 44.85 47.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.866 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.7 38.8 95.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -143.75 148.37 35.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -95.6 89.36 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -75.15 -17.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.21 170.45 16.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.6 -160.31 25.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.59 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -53.05 -62.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.64 -63.8 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.01 -63.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.634 HG23 HD11 ' A' ' 106' ' ' LEU . 97.6 m -41.68 -46.13 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -45.32 89.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 102' ' ' LYS . 43.9 ttt180 -67.13 -52.93 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.4 mt -37.41 -51.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -58.12 -37.51 74.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.0 mmmt -61.47 -61.01 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.4 -34.39 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.1 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -122.33 15.6 10.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 97' ' ' THR . 5.2 tt -112.2 -46.38 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.004 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.29 -43.21 92.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.2 Cg_exo -47.96 -30.23 13.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.2 -46.01 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' LEU . 44.4 t -48.52 -27.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 1.004 ' CE1' HD11 ' A' ' 107' ' ' LEU . 17.6 m170 -101.68 30.08 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -124.14 -21.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 p -78.07 -31.79 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.8 OUTLIER -126.69 27.24 6.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 111' ' ' HIS . 8.0 tp -63.58 169.11 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' CE ' ' H ' ' A' ' 129' ' ' SER . 19.3 pttp 41.37 34.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -162.46 106.61 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -161.02 171.95 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -53.52 165.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -40.99 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -174.69 146.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.2 115.36 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 123' ' ' PHE . 13.6 p90 -128.76 94.99 3.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -97.73 86.94 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.6 m -155.98 125.96 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.53 136.1 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.5 p -173.19 158.24 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.425 ' H ' ' CE ' ' A' ' 116' ' ' LYS . 92.7 p -172.22 161.97 5.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m 52.92 41.88 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -96.29 92.77 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.78 59.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -97.73 112.43 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p 42.86 42.19 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.09 -179.46 48.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -126.31 -51.8 1.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.42 111.86 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -86.54 -46.34 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -141.66 177.61 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' ' H ' ' A' ' 14' ' ' THR . 3.0 tp -92.01 140.36 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -131.58 32.2 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.464 ' H ' ' CD1' ' A' ' 12' ' ' LEU . 4.9 m 33.53 49.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB3' ' OD1' ' A' ' 18' ' ' ASN . . . -50.81 157.73 1.29 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.051 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.78 -42.19 3.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.513 HG23 ' HB1' ' A' ' 71' ' ' ALA . 7.1 p -55.37 -29.97 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.596 ' OD1' ' HB3' ' A' ' 15' ' ' ALA . 29.9 m120 -68.11 -49.2 62.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.96 -29.17 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.99 -44.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -48.2 -41.2 26.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.29 -42.29 59.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -58.15 -56.71 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.626 HD12 ' HA2' ' A' ' 88' ' ' GLY . 47.9 pt -48.31 -37.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.4 m -73.74 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -47.45 -63.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.95 141.96 54.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -63.84 -43.66 95.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t -142.36 139.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.57 130.5 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -117.36 114.64 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -99.08 105.57 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.1 p -115.78 157.5 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' THR . 3.1 ptmm? -124.34 29.1 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LYS . 58.9 p 35.19 51.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -132.07 -45.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 t -98.63 125.78 44.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -47.0 -36.29 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' MET . 9.9 m-85 -44.09 -43.43 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 60.2 m -45.52 -36.9 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 m -70.86 -30.32 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.4 mmm -68.15 -54.56 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.01 62.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.22 -55.79 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -56.75 -40.08 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.16 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 65.0 m-85 -57.95 -49.25 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.7 -51.71 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.26 -37.82 81.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 mtp -73.21 -18.87 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 71.92 31.54 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ASN . 99.2 t -100.5 102.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' VAL . 18.5 t-20 -34.58 107.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -116.51 171.95 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -139.03 108.48 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.4 p -100.27 139.14 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' HE3' ' A' ' 55' ' ' LYS . 44.0 t -127.42 114.94 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -80.01 102.85 9.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 HD12 ' A' ' 62' ' ' LEU . 98.3 mt -73.04 -54.26 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' OD1' HD23 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -38.93 -40.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 60' ' ' ASP . 14.8 mt -80.66 -41.49 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 59' ' ' LEU . 11.8 mt -47.98 125.72 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.46 -37.88 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 6.1 p90 -102.55 39.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -55.58 27.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -49.98 -25.13 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.85 -71.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.4 -29.41 48.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.73 -50.57 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -63.78 -50.21 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.31 -53.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 76' ' ' THR . 25.5 mt -64.16 -42.52 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.25 -26.72 63.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.14 -41.75 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtm -72.1 -31.5 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 72' ' ' LEU . 13.9 p -93.79 -43.28 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.51 -27.09 14.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.61 -175.24 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -134.81 44.93 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.739 ' N ' HH12 ' A' ' 83' ' ' ARG . 50.8 p -90.97 110.11 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.529 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.9 m -99.8 152.65 37.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.72 -176.24 12.23 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.351 -0.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.739 HH12 ' N ' ' A' ' 80' ' ' THR . 13.8 mtp85 -129.77 111.66 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.36 132.14 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.23 117.99 23.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.667 HG23 HD12 ' A' ' 91' ' ' ILE . 91.7 t -105.35 111.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 55.51 44.44 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.626 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 64.76 40.87 97.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 m -149.01 136.71 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -80.73 120.66 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.52 -24.47 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 154.52 -176.84 32.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -100.76 -154.67 27.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.21 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -54.24 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -40.75 -62.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 100' ' ' LEU . 53.7 m -45.78 -42.66 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.86 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -70.21 -40.17 74.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 97' ' ' THR . 63.5 mt -53.81 -53.57 50.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.408 ' HB2' HD13 ' A' ' 106' ' ' LEU . 84.1 t60 -50.25 -45.33 54.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -55.57 -64.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' CG ' ' HE ' ' A' ' 99' ' ' ARG . 19.4 mm-40 -60.0 -27.11 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.84 51.86 1.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -128.62 -1.76 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.621 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.6 tt -101.16 -54.93 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.632 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.9 tm? -57.54 -42.54 96.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -47.95 -25.75 6.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CB ' HG11 ' A' ' 86' ' ' VAL . 14.6 mt -92.83 -39.84 10.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.82 -54.11 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.537 ' NE2' HD11 ' A' ' 107' ' ' LEU . 3.8 m-70 -51.13 -50.81 58.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -44.04 -49.05 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.0 t -44.45 -64.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 2.1 p90 -106.8 34.77 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' HIS . 9.4 tp -54.19 169.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -75.87 50.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -90.94 -39.64 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.5 p -132.64 152.96 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.88 98.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -147.77 121.26 9.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -133.83 154.01 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -167.18 146.79 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 1.8 p90 -153.9 163.76 39.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.47 158.39 43.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.8 t -93.82 152.04 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.78 138.64 10.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.73 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.8 t -169.6 165.5 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.3 p -132.25 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 38.25 42.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -78.82 -48.84 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.29 47.69 0.25 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -113.91 140.56 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -134.62 126.13 28.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.93 -134.03 6.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 62.77 46.84 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mp -102.6 38.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.44 175.43 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -40.7 153.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.72 124.12 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.39 22.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m 38.22 53.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -54.34 160.11 2.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.696 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.2 p -38.29 -42.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' N ' HG13 ' A' ' 17' ' ' VAL . 71.5 m-80 -60.3 -49.84 76.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -51.88 -23.66 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.706 HD11 ' HD1' ' A' ' 68' ' ' PHE . 40.9 mt -85.95 -45.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.49 -35.3 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.21 -34.05 63.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.5 m -73.62 -49.19 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.993 HD12 ' HA2' ' A' ' 88' ' ' GLY . 50.8 pt -64.02 -24.89 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -71.83 -40.72 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.28 -53.9 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -69.23 147.3 51.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -75.64 -47.47 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.11 125.35 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 32' ' ' PHE . 76.3 t -113.44 109.94 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.61 104.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.6 m-85 -94.24 110.76 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -112.58 165.56 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -133.39 31.08 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD21 ' A' ' 61' ' ' LEU . 33.2 p 32.4 44.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -123.8 -46.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.2 165.83 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 41' ' ' THR . 1.9 t -86.71 -32.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 21.3 m-85 -55.29 -17.67 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.4 p -55.67 -25.64 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 38' ' ' SER . 4.3 t -91.57 -37.15 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 8.2 ptm -61.04 -41.76 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -68.62 -59.3 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.053 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' CE ' HG21 ' A' ' 56' ' ' VAL . 58.9 mttt -52.89 -36.99 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.44 -37.13 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 tp -52.18 -54.15 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -68.12 -36.73 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -54.66 -55.13 32.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.33 -28.46 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 mtp -80.03 -11.21 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 63.59 38.52 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -110.6 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.0 m-20 -34.56 116.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -120.09 171.31 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG21 ' CE ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -96.87 130.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.529 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 38.8 t -130.77 99.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.792 ' CB ' HD23 ' A' ' 61' ' ' LEU . 5.9 mt-10 -74.19 111.04 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.8 mt -77.48 -45.68 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 12.9 t70 -39.07 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 58' ' ' GLU . 1.2 mm? -93.2 -46.89 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.3 153.82 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 13.2 pt-20 -77.99 -26.84 48.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.15 19.41 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.88 4.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.08 -24.74 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -79.47 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.706 ' HD1' HD11 ' A' ' 20' ' ' ILE . 17.0 m-85 -56.56 -24.55 47.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -61.75 -49.94 74.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 33.4 t0 -70.16 -47.03 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.728 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.7 mt -65.13 -53.45 45.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -46.72 -21.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE2' ' CG ' ' A' ' 70' ' ' ASP . 18.0 mttm -85.52 -45.09 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.1 mtm -69.62 -15.69 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 p -114.83 -39.96 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.38 57.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 80' ' ' THR . 6.0 tp10 -108.64 158.07 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 48.2 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.436 HG22 ' CG ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -111.36 149.68 30.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.1 m -133.15 154.92 81.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.78 178.76 24.41 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.481 HH21 HD12 ' A' ' 72' ' ' LEU . 3.2 mtm-85 -128.32 117.0 20.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -97.89 128.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.728 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 20.0 m-85 -121.56 117.92 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.702 HG23 HD12 ' A' ' 91' ' ' ILE . 20.2 t -111.78 108.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t30 59.95 44.61 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.993 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.8 43.87 98.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.1 m -148.03 143.13 27.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -90.06 79.39 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.702 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -62.05 -16.1 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.49 11.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.46 -155.32 5.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.52 -61.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 100' ' ' LEU . 39.4 m -45.36 -47.28 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.59 -44.18 89.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.94 -42.85 90.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 97' ' ' THR . 57.5 mt -49.16 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.424 ' N ' ' HB2' ' A' ' 106' ' ' LEU . 1.9 t60 -39.94 -59.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -43.29 -63.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 5.1 mm-40 -65.21 -15.85 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.18 43.62 5.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 1.8 mttp -126.17 23.42 7.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.3 tt -110.36 -56.18 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.9 OUTLIER -55.99 -43.61 99.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.932 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -48.02 -34.4 23.01 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.48 -45.77 13.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -42.81 -55.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.503 ' CE1' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -50.1 -48.04 53.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 16.2 mt-30 -51.25 -16.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 0.7 OUTLIER -72.29 -43.91 63.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.599 ' CD2' ' SG ' ' A' ' 113' ' ' CYS . 0.1 OUTLIER -134.55 42.24 2.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 112' ' ' GLN . 11.2 mt -56.09 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.6 tptm -34.37 149.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.12 52.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -160.16 176.64 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -69.9 83.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -170.04 174.55 5.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -125.92 145.64 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.92 160.77 31.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -110.53 171.04 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -150.5 144.14 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.2 m -128.31 -52.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.19 99.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.95 2.19 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 51.2 m -71.35 176.08 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 45.6 t -135.46 110.11 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 m -127.99 109.84 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -125.12 -57.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 92.49 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -122.09 117.35 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t 37.53 41.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.96 112.13 3.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.1 m -92.22 162.29 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.0 92.18 8.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.93 176.2 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -42.93 146.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.47 115.38 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -86.77 24.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 14' ' ' THR . 18.4 m 35.6 37.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -44.53 165.6 0.14 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.73 -41.99 3.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.3 p -52.61 -42.48 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 17' ' ' VAL . 23.6 m120 -54.32 -43.36 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -59.53 -35.0 73.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -45.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.32 -35.47 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.17 -32.35 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 m -66.02 -42.02 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.691 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.8 pt -66.33 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.6 p -61.42 -49.88 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.83 -60.86 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -66.66 154.2 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.2 m -81.1 -44.08 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 86' ' ' VAL . 98.8 t -138.4 125.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.94 122.98 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 mt -113.13 113.94 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 61.8 m-85 -98.84 110.83 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 p -113.91 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.603 ' CD ' HG21 ' A' ' 81' ' ' VAL . 12.4 ptmt -135.04 36.25 3.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.751 ' CG2' HD21 ' A' ' 61' ' ' LEU . 82.3 p 28.25 47.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 8.7 t -135.0 -43.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.97 126.73 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.4 m -44.22 -52.76 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' MET . 25.7 m-85 -41.77 -37.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' TYR . 91.2 m -36.3 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' TYR . 3.1 t -86.49 -39.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.9 ptm -52.19 -43.12 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -57.76 -51.84 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' HG21 ' A' ' 56' ' ' VAL . 16.1 mttm -60.09 -54.44 45.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -54.27 -45.94 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -48.08 -71.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -54.64 -49.5 70.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -46.19 -44.31 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -67.92 -33.96 75.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 26.9 mtm -79.16 -7.84 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.14 32.91 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.6 t -103.65 99.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 29.0 t-20 -34.93 113.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.41 170.68 8.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -133.28 105.24 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -98.95 136.28 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.4 t -130.91 99.99 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.939 ' HB3' HD23 ' A' ' 61' ' ' LEU . 1.8 mp0 -74.19 127.42 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 62' ' ' LEU . 12.2 mt -91.66 -45.63 8.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.84 -17.83 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.939 HD23 ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -98.38 -32.21 11.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.8 mt -62.3 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.28 -37.26 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -104.43 36.69 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.24 -47.35 55.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -52.74 -32.78 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.96 -70.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.76 -19.46 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.29 -45.97 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' OD2' ' CE ' ' A' ' 74' ' ' LYS . 31.4 t0 -66.68 -52.38 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -45.14 -60.2 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.8 mt -44.16 -53.19 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CD1' ' CG ' ' A' ' 79' ' ' ARG . 3.3 t80 -47.97 -53.84 14.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 17.0 mttm -58.76 -16.33 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.0 mtm -93.82 -35.79 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.417 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 30.0 p -94.15 -61.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.14 10.7 51.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -121.54 -42.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' CG ' ' CD1' ' A' ' 73' ' ' TYR . 10.5 mtm180 70.21 46.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.9 p -119.37 114.6 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.603 HG21 ' CD ' ' A' ' 34' ' ' LYS . 31.0 m -97.16 152.27 38.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.998 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.74 -179.61 19.61 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.297 -0.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.411 ' NH2' HG13 ' A' ' 81' ' ' VAL . 24.3 mtt180 -136.76 115.03 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.24 139.68 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.417 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.7 m-85 -134.54 118.27 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 HD12 ' A' ' 91' ' ' ILE . 93.4 t -108.08 124.25 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.88 32.06 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 73.98 41.66 39.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.8 m -149.87 133.38 16.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -77.82 87.81 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -68.36 -23.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.23 155.14 7.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.96 -173.1 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.998 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.71 -59.1 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.7 m -56.97 -52.37 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.87 -65.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 106' ' ' LEU . 83.2 m -40.0 -46.53 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -56.41 -46.41 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -62.8 -48.84 77.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 97' ' ' THR . 97.3 mt -43.49 -56.05 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 84.4 t60 -48.16 -47.64 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -65.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.88 -27.41 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.01 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -127.2 2.96 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.614 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.8 tt -102.29 -55.56 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 1.5 tm? -56.4 -42.97 98.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.3 Cg_exo -48.01 -30.3 13.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' HB2' HG11 ' A' ' 86' ' ' VAL . 7.5 mt -91.84 -30.79 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.408 HG23 HD23 ' A' ' 106' ' ' LEU . 70.3 t -60.91 -47.41 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.572 ' NE2' HD11 ' A' ' 107' ' ' LEU . 2.9 m-70 -61.16 -40.9 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.799 ' HA ' HD12 ' A' ' 115' ' ' LEU . 4.6 mm100 -45.99 -34.26 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.64 -42.22 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 7.1 p90 -130.89 82.24 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 112' ' ' GLN . 12.7 mt -130.26 -41.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 117' ' ' LYS . 15.2 ptmt 40.17 40.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' LYS . 37.2 mmtt -35.28 -56.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 p -61.78 155.26 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -60.31 147.53 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.99 140.96 28.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -56.87 89.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -173.18 150.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.2 78.7 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.4 130.1 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.4 t -78.54 113.04 16.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.27 84.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 93.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.743 2.296 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.2 t -156.33 132.07 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.6 m -74.34 118.35 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -73.06 125.77 28.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -85.52 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.42 -130.22 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -40.3 107.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -100.37 92.57 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.92 -172.09 19.6 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.7 p -160.59 164.34 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . 11.4 tp -34.96 105.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -82.21 49.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -88.12 22.47 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -113.27 171.89 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.93 23.55 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 14' ' ' THR . 16.9 m -107.77 37.41 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -49.58 160.39 0.59 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.679 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 -41.03 4.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.35 -38.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -59.82 -41.9 92.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -58.13 -34.49 70.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' ILE . 38.6 mt -74.43 -44.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -56.42 -40.74 75.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.67 -38.19 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -63.76 -51.61 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' ' 88' ' ' GLY . 42.4 pt -57.62 -32.92 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -71.62 -56.58 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -57.38 -59.45 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -60.59 165.86 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.2 t -97.64 -31.87 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 28' ' ' CYS . 94.8 t -152.52 122.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG22 ' HZ1' ' A' ' 55' ' ' LYS . 79.7 t -122.67 126.89 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 47' ' ' PHE . 64.0 mt -119.91 107.02 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.49 104.46 17.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 24.2 p -118.89 153.87 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.856 ' HD2' HG21 ' A' ' 81' ' ' VAL . 5.3 ptmt -116.14 137.97 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.0 p -61.57 -32.89 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -31.3 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.52 164.07 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' CYS . 3.5 m -94.48 -44.0 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 83.6 m-85 -41.0 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 33' ' ' SER . 29.4 p -46.99 -39.35 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 42' ' ' MET . 7.3 t -74.9 -41.86 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.434 ' N ' HG23 ' A' ' 41' ' ' THR . 14.1 mmm -43.58 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.0 -44.19 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 15.4 mtpp -61.9 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.97 -43.56 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD2' HG22 ' A' ' 97' ' ' THR . 50.2 tp -54.46 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 31' ' ' ILE . 75.2 m-85 -62.97 -56.32 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 1.4 t-80 -43.14 -45.91 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.17 -35.11 78.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -76.34 -13.93 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 t30 69.43 29.42 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -96.85 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -38.99 109.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -122.72 172.17 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HZ1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -131.03 111.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.46 139.62 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.8 t -127.98 106.89 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HB2' HD12 ' A' ' 61' ' ' LEU . 16.5 mp0 -71.98 101.22 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 62' ' ' LEU . 94.9 mt -65.01 -48.61 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.89 -36.47 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 58' ' ' GLU . 81.2 mt -79.29 -42.69 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 59' ' ' LEU . 12.2 mt -47.07 117.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -44.32 -41.98 6.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -98.55 36.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.04 38.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -28.5 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -71.51 -71.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.46 -25.06 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -64.05 -43.21 96.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -68.38 -53.2 25.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 -48.76 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 34.5 mt -65.58 -37.77 87.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' GLY . 21.7 t80 -61.09 -29.56 69.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -80.04 -41.41 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.9 mtm -75.48 -23.62 56.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -103.25 -35.68 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 100.97 -29.21 13.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.02 171.03 10.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -112.42 46.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.9 p -89.16 152.71 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.856 HG21 ' HD2' ' A' ' 34' ' ' LYS . 23.6 m -153.86 153.61 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.76 -178.56 16.98 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.7 ' NH1' HG21 ' A' ' 76' ' ' THR . 1.2 mtp-105 -139.61 124.12 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.709 HD13 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -97.9 142.9 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.35 117.84 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.673 HG11 ' CB ' ' A' ' 109' ' ' LEU . 75.2 t -110.4 128.25 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.45 41.28 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.12 41.66 99.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -150.85 144.15 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.174 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -84.37 126.16 32.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.806 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -118.56 -29.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.01 168.15 29.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.25 -161.54 32.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.43 -49.7 43.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -68.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.97 -58.36 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.751 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.8 m -46.59 -41.67 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.671 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.7 t60 -62.44 -40.54 96.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -71.73 -42.21 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 97' ' ' THR . 60.1 mt -49.71 -51.59 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.416 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.0 t60 -50.06 -44.52 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.21 -53.2 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.75 -29.17 66.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.05 40.57 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -126.22 12.58 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.5 tt -108.94 -54.95 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.7 OUTLIER -52.97 -44.49 96.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.96 -27.22 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.673 ' CB ' HG11 ' A' ' 86' ' ' VAL . 5.5 mt -95.15 -28.43 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.447 HG23 HD23 ' A' ' 106' ' ' LEU . 58.1 t -67.65 -33.24 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.752 ' CE1' HD11 ' A' ' 107' ' ' LEU . 2.0 m-70 -85.06 24.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -116.14 -61.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.3 -65.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 1.6 p90 -86.46 31.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 111' ' ' HIS . 12.4 tp -78.64 161.61 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 51.1 pttt -35.26 -36.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 115' ' ' LEU . 19.3 ttpt -79.07 46.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 p -174.45 172.0 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -45.19 125.66 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -66.5 156.73 34.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -155.21 133.85 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -97.66 163.26 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -170.25 152.55 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -129.68 168.4 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 95.5 p -153.12 171.59 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -152.53 74.09 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 176.27 6.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -167.47 163.39 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -158.45 174.3 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -162.47 139.75 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -171.63 151.44 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.58 -45.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -48.57 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -160.78 122.59 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.79 164.72 33.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.1 m -141.93 176.75 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -133.55 116.15 15.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -80.37 -60.68 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -84.85 170.67 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.85 100.4 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.67 22.81 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 14' ' ' THR . 10.9 m 37.91 43.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -46.78 156.45 0.53 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 111.07 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.7 -40.09 5.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 4.4 p -49.09 -40.94 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.425 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 32.6 m120 -59.37 -43.35 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -56.74 -33.85 66.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 72' ' ' LEU . 38.4 mt -75.32 -51.78 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -43.65 -34.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.03 -41.01 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -61.16 -43.8 98.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.51 -33.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -72.09 -50.33 29.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.35 -54.97 21.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.1 -178.92 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.1 t -105.87 -48.66 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' SG ' ' A' ' 28' ' ' CYS . 53.0 t -132.8 113.84 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG11 ' CE2' ' A' ' 32' ' ' PHE . 96.0 t -110.94 117.3 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 47' ' ' PHE . 62.1 mt -105.64 99.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CE2' HG11 ' A' ' 30' ' ' VAL . 41.7 m-85 -90.54 104.26 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 9.7 p -128.44 173.93 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.806 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.2 ptmm? -123.8 -174.68 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 61' ' ' LEU . 40.0 p -115.75 48.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 4.8 m -127.8 -28.15 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.51 169.58 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -91.58 -30.76 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.439 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 76.4 m-85 -56.03 -14.54 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.04 -46.61 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -71.3 -27.65 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.3 mmm -57.47 -54.01 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -60.58 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -50.67 -52.74 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -58.09 -47.04 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.65 -64.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 31' ' ' ILE . 73.4 m-85 -57.68 -44.32 85.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -51.95 -47.78 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -63.11 -36.37 83.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.29 -15.79 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.77 32.46 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -103.54 106.23 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.4 m-20 -36.47 113.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -123.61 165.88 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -131.47 105.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -97.38 144.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 88.5 t -137.89 106.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -76.32 104.91 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 62' ' ' LEU . 28.3 mt -70.69 -33.14 70.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.9 -45.36 94.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 35' ' ' THR . 3.3 mp -68.31 -32.77 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 59' ' ' LEU . 19.5 mt -62.19 154.29 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.16 -53.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -88.47 28.37 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.2 -48.23 47.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -52.68 -20.42 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -80.41 -70.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.506 ' HD1' HD11 ' A' ' 20' ' ' ILE . 10.8 m-85 -55.76 -24.2 33.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.572 ' HG2' HD13 ' A' ' 59' ' ' LEU . 18.8 mt-30 -66.22 -38.98 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE3' ' A' ' 74' ' ' LYS . 17.6 t0 -69.86 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.87 -48.49 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 20' ' ' ILE . 26.4 mt -62.16 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.6 t80 -53.2 -29.47 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -77.43 -49.23 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HD23 ' A' ' 72' ' ' LEU . 29.8 mtm -51.3 -20.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.526 HG23 HH21 ' A' ' 83' ' ' ARG . 8.4 p -112.16 -60.26 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' N ' ' OG1' ' A' ' 76' ' ' THR . . . 122.76 8.38 6.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 80' ' ' THR . 4.2 tt0 -156.21 160.54 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.62 52.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.453 HG23 ' HG2' ' A' ' 78' ' ' GLU . 52.4 p -100.6 140.69 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.806 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -135.55 159.68 70.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.154 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.526 HH21 HG23 ' A' ' 76' ' ' THR . 10.4 mtp-105 -127.29 112.94 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.38 132.03 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.46 118.17 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.59 108.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.05 30.83 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.67 35.18 29.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.9 m -137.49 138.71 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -87.43 73.78 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.57 -9.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.86 -173.76 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.59 -160.8 28.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -58.37 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -54.46 -65.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.9 -61.43 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.0 m -47.22 -40.62 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.74 -41.74 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -65.55 -41.15 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 97' ' ' THR . 77.1 mt -50.07 -59.32 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -45.93 -42.92 13.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -62.02 -61.17 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.79 -22.22 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.58 46.0 3.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -127.51 10.27 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.9 tt -110.37 -52.06 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.755 HD11 ' NE2' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.83 -43.33 97.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.3 Cg_exo -47.93 -20.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.98 -49.48 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -43.54 -37.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.755 ' NE2' HD11 ' A' ' 107' ' ' LEU . 1.6 m-70 -86.16 39.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HA ' HD22 ' A' ' 115' ' ' LEU . 43.8 mt-30 -132.78 -33.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.66 -57.73 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.99 14.59 15.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 111' ' ' HIS . 8.0 tp -52.96 171.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -44.07 -35.9 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.29 39.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.94 167.4 5.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.85 122.58 10.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -113.87 163.29 15.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -173.59 151.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -133.39 171.98 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -158.26 139.92 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -108.25 153.16 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.7 t -157.57 167.46 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.15 122.54 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.4 m -138.88 148.38 43.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.1 p -120.2 167.34 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -61.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -64.68 82.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.03 23.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -130.55 110.27 11.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.391 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -119.78 148.76 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 89.78 1.8 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -129.65 113.2 14.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -83.88 89.94 7.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -132.88 160.28 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -39.92 145.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' THR . 1.6 tt -42.35 -38.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' THR . . . 37.77 27.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.0 m 34.06 54.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -65.91 166.77 14.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.075 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.8 -45.43 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 3.3 p -49.65 -43.0 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.6 m-80 -61.63 -39.79 92.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -61.19 -23.15 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 72' ' ' LEU . 24.7 mt -90.51 -37.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.85 -32.28 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.0 -37.56 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 1.001 HG22 HG21 ' A' ' 30' ' ' VAL . 99.3 m -64.02 -51.27 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA2' ' A' ' 88' ' ' GLY . 49.3 pt -59.71 -23.39 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.5 t -78.31 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.07 -55.92 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -72.85 142.81 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.11 -56.24 9.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -124.85 131.84 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.001 HG21 HG22 ' A' ' 23' ' ' THR . 72.9 t -127.45 110.51 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -96.54 137.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.622 ' CE2' HG12 ' A' ' 30' ' ' VAL . 62.7 m-85 -127.21 111.59 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 1.8 t -121.16 172.56 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -126.24 12.05 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p 49.27 34.56 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -115.86 -41.87 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.18 164.18 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -80.99 -30.94 34.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -49.26 -32.42 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.6 p -56.78 -35.73 69.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -73.21 -20.8 60.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mmm -76.65 -56.32 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.28 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -50.57 -62.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.0 mptt -49.09 -53.06 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 97' ' ' THR . 16.9 tp -39.97 -67.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -59.33 -42.79 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.02 -54.21 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.66 -29.65 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.6 mtp -78.07 -7.0 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 m120 56.51 34.9 25.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.4 t -104.01 101.32 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.5 m120 -38.35 109.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -117.15 172.04 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -131.77 105.69 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.45 143.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 20.6 t -135.93 119.9 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' HD22 ' A' ' 61' ' ' LEU . 3.9 mp0 -90.53 104.99 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.8 mt -68.02 -46.23 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -51.03 -44.61 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -70.53 -40.36 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.5 mt -49.6 160.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.78 -44.67 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -98.73 30.89 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.7 -54.75 10.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -45.1 -26.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -78.02 -70.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.37 -14.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -74.27 -45.54 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -75.08 -46.09 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.12 -47.42 23.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 76' ' ' THR . 29.7 mt -63.19 -50.41 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -44.43 -31.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -74.8 -45.48 43.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 mtm -75.58 -14.16 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.3 p -107.02 -25.03 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 70.91 21.87 78.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.96 -178.22 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -128.67 40.92 3.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -97.91 112.33 24.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.504 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -108.54 158.82 32.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 179.86 21.16 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.363 -0.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.421 ' NH1' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -121.36 112.1 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -103.88 130.86 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' HZ ' HG22 ' A' ' 76' ' ' THR . 32.0 m-85 -125.83 119.7 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.631 HG23 HD12 ' A' ' 91' ' ' ILE . 61.9 t -109.07 106.82 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 67.61 32.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 75.81 33.26 51.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -139.69 146.15 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -89.15 85.78 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.631 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.27 -19.5 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.88 176.83 18.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.37 -151.4 24.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.79 -65.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -50.46 -70.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -38.54 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 106' ' ' LEU . 24.1 m -41.88 -46.45 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.1 -39.42 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -66.37 -33.71 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 97' ' ' THR . 89.7 mt -56.5 -58.84 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.526 ' HB2' HD13 ' A' ' 106' ' ' LEU . 3.9 t60 -43.06 -46.98 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -59.55 -46.22 89.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.4 -18.06 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.69 49.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.526 ' CD ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -109.67 30.35 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 97' ' ' THR . 5.4 tt -122.61 -42.15 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.896 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -69.73 -43.93 22.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.95 -18.25 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CB ' HG11 ' A' ' 86' ' ' VAL . 12.4 mt -95.6 -44.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.08 -29.53 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.896 ' CE1' HD11 ' A' ' 107' ' ' LEU . 34.5 m170 -89.69 22.38 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -124.49 -29.53 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.6 p -64.84 -53.43 46.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 2.5 p90 -89.74 22.9 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 111' ' ' HIS . 6.4 tp -86.26 177.21 7.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.1 tptt -33.37 121.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -80.23 103.69 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.9 m -63.94 -179.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -92.46 48.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -90.95 169.14 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -84.74 148.12 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -154.76 140.84 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -120.92 123.34 42.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -83.68 148.24 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -172.75 139.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 154.06 111.79 0.44 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 126' ' ' GLY . 53.5 Cg_endo -69.75 156.91 62.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.5 t -120.95 112.54 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -168.17 171.14 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.699 ' N ' HD21 ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.588 0.709 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.79 37.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' HB1' ' A' ' 71' ' ' ALA . 2.7 p -70.15 -46.43 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.699 HD21 ' N ' ' A' ' 15' ' ' ALA . 4.2 p30 -61.17 -38.83 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.63 -31.97 68.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.553 HD11 ' HD1' ' A' ' 68' ' ' PHE . 27.6 mt -76.53 -47.07 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.58 -39.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.22 -36.97 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -62.64 -47.55 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.994 HD12 ' HA2' ' A' ' 88' ' ' GLY . 25.4 pt -68.87 -28.97 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -69.96 -48.3 58.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.67 -57.3 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -61.77 179.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 -39.37 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -147.93 119.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 95.8 t -120.76 129.0 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.437 HD11 ' CE2' ' A' ' 47' ' ' PHE . 97.1 mt -113.34 99.62 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 64.2 m-85 -88.36 104.51 16.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 6.7 p -138.57 170.58 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' CG ' HG21 ' A' ' 81' ' ' VAL . 9.2 ptpt -118.19 -174.5 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -111.65 41.6 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.5 p -125.25 -6.33 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.76 165.17 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.3 p -91.4 -43.89 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.438 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 53.7 m-85 -48.45 -22.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 19.8 p -49.51 -37.44 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -77.07 -38.2 53.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 mmm -47.35 -57.68 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.24 -51.87 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HG21 ' A' ' 56' ' ' VAL . 9.5 mttm -56.85 -48.18 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.73 -38.26 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.32 -58.04 10.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 31' ' ' ILE . 74.4 m-85 -65.98 -51.72 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -45.34 -47.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.25 -32.54 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.6 mtp -77.8 -8.69 58.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.56 32.28 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -104.27 105.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -39.63 112.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -117.89 166.22 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -134.58 105.74 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -98.58 154.15 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -142.11 119.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -86.05 111.48 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.6 mt -78.63 -39.07 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -48.19 -45.23 33.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -75.96 -34.32 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 59' ' ' LEU . 36.0 mt -60.11 129.11 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -54.74 -45.2 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.75 38.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.43 -49.85 42.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -51.12 -20.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.85 -71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.553 ' HD1' HD11 ' A' ' 20' ' ' ILE . 87.2 m-85 -54.87 -15.65 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.41 -43.76 72.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.44 -54.86 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -39.44 -45.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.3 -48.68 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -47.65 -26.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -84.24 -34.19 23.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 mtm -77.24 -18.1 57.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 p -112.31 -36.14 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 -6.25 63.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -130.91 176.62 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -130.2 49.95 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.05 155.26 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -136.8 159.21 71.14 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 111.101 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 -179.19 18.49 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.317 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.82 113.07 13.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.15 129.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -122.4 118.46 28.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.55 121.95 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.09 40.45 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.994 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 59.44 26.12 61.51 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.3 m -134.73 124.2 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -69.51 75.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -51.42 -20.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.65 -170.88 26.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.93 -159.11 29.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.64 -58.06 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.078 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.39 -58.52 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.747 ' HA ' HD12 ' A' ' 100' ' ' LEU . 87.5 m -49.25 -39.73 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.52 -44.05 92.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -62.6 -45.08 94.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 97' ' ' THR . 29.8 mt -49.12 -61.24 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -41.59 -41.12 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -63.77 -49.9 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.58 -5.31 52.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.06 29.94 63.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -103.01 13.3 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 97' ' ' THR . 6.3 tt -118.62 -39.39 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.724 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -62.76 -43.77 84.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.1 Cg_exo -48.01 -26.73 7.97 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.67 -41.29 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 106' ' ' LEU . 97.7 t -53.35 -29.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.724 ' CE1' HD11 ' A' ' 107' ' ' LEU . 48.1 m170 -95.38 27.44 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.97 -45.28 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.628 0.728 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.78 -45.79 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -48.21 -39.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 92.4 m-20 -60.18 -47.09 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -57.57 -23.4 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.5 mt -85.78 -41.41 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.12 -36.18 74.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' THR . 9.9 pt-20 -70.93 -32.74 69.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 58.7 m -72.24 -46.66 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.745 HD12 ' HA2' ' A' ' 88' ' ' GLY . 39.8 pt -68.73 -34.28 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -70.07 -42.74 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -75.67 -43.86 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.22 160.62 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.33 -53.57 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.6 t -127.52 140.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 96.2 t -134.1 123.23 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 56' ' ' VAL . 87.4 mt -112.13 109.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 86.5 m-85 -98.7 112.63 24.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -120.25 162.55 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.5 ptmm? -122.78 31.18 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.0 p 33.69 49.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 t -133.74 -44.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 m -90.14 165.77 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 p -89.28 -35.27 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -53.83 -18.66 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' C ' ' HZ2' ' A' ' 44' ' ' LYS . 31.2 p -52.07 -40.86 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.1 t -73.92 -43.36 58.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' THR . 36.5 mtp -43.05 -49.98 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.58 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.58 ' HE3' HG21 ' A' ' 56' ' ' VAL . 32.9 mttp -51.61 -54.79 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.73 -44.34 81.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.25 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.32 -45.09 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -47.35 -50.46 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.85 -27.65 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 mtp -80.83 -12.12 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 65.83 38.03 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.7 t -110.38 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 68.8 m-80 -34.42 116.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -118.63 172.18 7.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -136.66 105.81 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.58 HG21 ' HE3' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -92.13 145.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 42.2 t -139.83 109.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -77.93 115.07 17.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 62' ' ' LEU . 83.2 mt -81.93 -53.15 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -37.58 -38.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -81.49 -36.41 29.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 59' ' ' LEU . 17.2 mt -53.98 126.64 23.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.89 -43.52 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -98.68 40.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.32 -53.8 36.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -49.09 -23.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.16 -70.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -54.07 -15.71 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.66 -47.34 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -64.88 -51.35 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.22 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' MET . 30.4 mt -62.52 -54.16 44.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HB2' ' A' ' 79' ' ' ARG . 5.2 t80 -41.27 -34.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -79.02 -36.81 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' LEU . 14.9 mtm -83.78 -11.17 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.501 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 32.9 p -111.2 -28.53 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.56 29.92 8.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 80' ' ' THR . 3.1 tp10 -122.56 -43.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 12.7 ttp85 69.89 47.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -152.49 167.47 28.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.503 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -137.34 159.29 70.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 175.91 34.67 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -120.85 116.33 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.17 139.56 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CZ ' HG22 ' A' ' 76' ' ' THR . 36.5 m-85 -133.68 119.14 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.0 t -114.71 122.45 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 54.88 37.17 28.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.85 41.93 93.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.4 m -149.7 137.98 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 64.6 t80 -82.49 92.09 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.659 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -76.9 -19.67 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.22 -159.85 28.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.37 -161.64 11.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -55.17 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.36 -63.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 100' ' ' LEU . 90.9 m -44.86 -41.96 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -70.51 -47.4 60.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 97' ' ' THR . 36.5 mt -44.04 -50.46 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -57.46 -37.04 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.86 -60.22 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CB ' ' HE2' ' A' ' 105' ' ' LYS . 4.5 mm-40 -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 96.63 19.16 28.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.426 ' HE2' ' CB ' ' A' ' 103' ' ' GLU . 9.9 mtmt -92.86 9.94 33.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 97' ' ' THR . 5.0 tt -112.41 -42.8 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.692 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.94 -29.34 11.66 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -88.68 -46.68 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.96 -41.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.692 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 31.4 m170 -64.86 -48.27 74.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.02 -35.14 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.78 -47.98 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 9.8 p -46.21 -44.34 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.497 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.8 m-20 -54.86 -48.38 73.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -52.88 -38.8 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 68' ' ' PHE . 41.0 mt -69.58 -53.22 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -41.6 -35.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.17 -40.19 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 87.0 m -63.06 -40.64 98.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.719 HD12 ' HA2' ' A' ' 88' ' ' GLY . 37.8 pt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -75.92 -44.94 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -71.52 -54.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.89 152.66 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -78.52 -33.83 47.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -155.55 124.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -116.75 130.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.74 100.22 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 48.5 m-85 -88.57 106.69 18.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.4 m -115.34 170.82 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.8 ptmm? -134.16 29.05 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.541 HG21 HD21 ' A' ' 61' ' ' LEU . 18.9 p 34.75 47.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -123.19 -43.4 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.22 166.9 12.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 41' ' ' THR . 36.2 m -88.0 -23.08 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 9.8 m-85 -68.77 -17.48 64.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 19.2 p -58.67 -23.5 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' SER . 1.5 t -95.01 -35.34 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 39' ' ' TYR . 13.6 ptm -68.14 -30.76 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.94 77.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.3 mppt? -64.34 -50.78 66.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -49.92 -46.53 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -48.95 -59.32 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -64.13 -37.85 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -52.65 -56.16 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.17 -28.82 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.411 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 36.0 mtp -78.06 -7.19 56.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.47 27.29 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.6 t -97.45 94.71 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 49.9 t30 -35.17 114.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -117.82 171.9 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.98 105.93 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.29 135.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 39.5 t -132.56 99.9 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' CB ' HD23 ' A' ' 61' ' ' LEU . 38.1 mm-40 -78.13 115.06 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.0 mt -79.69 -40.68 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 8.8 t70 -48.13 -39.78 21.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -82.56 -24.17 34.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 59' ' ' LEU . 21.4 mt -67.11 154.94 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.68 -38.49 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -102.25 39.27 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.3 -59.64 7.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.19 -24.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -74.44 -72.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 20' ' ' ILE . 17.4 m-85 -55.84 -25.9 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.78 -40.76 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 74' ' ' LYS . 37.8 t0 -74.49 -56.74 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 17' ' ' VAL . . . -47.45 -32.91 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.68 -41.92 62.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -52.68 -27.52 17.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -76.88 -53.35 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.1 mtm -55.54 -39.12 70.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 p -89.79 -49.35 6.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.13 14.41 24.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -161.31 166.14 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -110.62 50.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -102.68 156.0 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -146.81 158.46 45.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 111.115 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.75 177.02 30.28 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.365 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -125.43 112.05 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.55 132.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.33 120.57 28.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.473 HG23 HD12 ' A' ' 91' ' ' ILE . 73.2 t -108.34 129.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.74 35.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.719 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.75 47.34 48.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.4 m -155.15 126.02 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -71.65 107.95 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -97.37 -16.46 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.0 174.96 18.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.09 -162.71 37.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -54.81 -35.07 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -75.89 -69.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -43.22 -55.29 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.48 ' HA ' HD12 ' A' ' 100' ' ' LEU . 54.9 m -51.0 -41.38 59.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.531 ' CE1' ' HE3' ' A' ' 102' ' ' LYS . 2.4 t60 -62.07 -40.23 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -67.58 -53.19 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 97' ' ' THR . 65.5 mt -39.11 -57.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.411 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 17.6 t60 -46.4 -41.65 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HE3' ' CE1' ' A' ' 98' ' ' HIS . 28.1 mttt -67.83 -38.59 83.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.52 6.16 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 64.58 25.07 69.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -97.6 0.83 48.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.583 HD23 HG23 ' A' ' 110' ' ' VAL . 6.2 tt -107.06 -39.08 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -59.97 -43.84 95.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.92 -23.56 4.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.403 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.69 -44.04 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.583 HG23 HD23 ' A' ' 106' ' ' LEU . 94.6 t -46.61 -39.23 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.695 ' CE1' HD11 ' A' ' 107' ' ' LEU . 41.7 m170 -74.86 -59.58 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' HIS . 7.3 mm100 -34.4 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' HIS . 15.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.537 0.684 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' HB2' ' A' ' 71' ' ' ALA . 53.6 Cg_endo -69.75 -49.31 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.66 -34.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.5 -23.41 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HD1' ' A' ' 68' ' ' PHE . 57.0 mt -85.55 -48.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -46.65 -33.45 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -72.89 -41.39 64.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -61.95 -40.56 95.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.4 pt -77.31 -16.32 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -78.77 -53.6 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.56 -39.18 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -89.2 -177.9 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.55 -36.58 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.93 122.35 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 32' ' ' PHE . 84.7 t -123.74 110.17 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.8 mt -99.62 107.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 30' ' ' VAL . 38.2 m-85 -97.85 109.07 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 p -118.64 167.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 81' ' ' VAL . 9.9 pttt -135.03 37.26 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.903 ' CG2' HD21 ' A' ' 61' ' ' LEU . 45.4 p 30.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 t -128.31 -40.13 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.33 128.92 44.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.5 m -51.38 -40.88 60.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -46.66 -21.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -46.67 -47.03 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -71.64 -35.93 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -53.22 -42.07 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.58 -59.25 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -48.52 -44.19 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -70.83 -46.24 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.4 tp -42.92 -60.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -63.88 -44.42 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.37 -51.53 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.65 -36.67 84.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 mtp -75.6 -7.01 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 58.73 35.67 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.8 t -104.69 101.69 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.4 t-20 -35.26 112.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.48 170.45 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -135.84 105.8 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.07 130.33 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 47.3 t -126.06 99.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.877 ' HB3' HD23 ' A' ' 61' ' ' LEU . 60.9 mt-10 -68.99 127.59 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 68' ' ' PHE . 46.4 mt -95.2 -46.44 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -21.05 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.903 HD21 ' CG2' ' A' ' 35' ' ' THR . 2.8 mm? -91.66 -35.87 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.15 164.39 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.43 -29.97 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -109.89 33.56 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.62 -46.92 93.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -49.66 -25.78 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -79.27 -72.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HD1' HD11 ' A' ' 20' ' ' ILE . 15.9 m-85 -50.98 -18.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -36.87 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.04 -45.59 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -57.39 -34.34 68.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -76.84 -49.25 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 16.4 t80 -47.31 -27.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -77.31 -50.34 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 mtm -60.53 -24.46 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.408 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 11.7 p -104.49 -27.44 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 86.27 -16.93 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.02 157.06 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD ' ' A' ' 79' ' ' ARG . 2.3 ppt_? -100.91 39.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.7 p -94.08 120.7 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.769 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -114.2 159.08 37.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.73 -178.51 16.84 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.365 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -128.28 112.97 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.35 133.51 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HZ ' HG22 ' A' ' 76' ' ' THR . 41.8 m-85 -128.62 120.14 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 HD12 ' A' ' 91' ' ' ILE . 55.1 t -103.67 120.19 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 50.96 36.51 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 72.13 42.97 49.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.99 141.05 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -84.4 105.35 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.784 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -94.53 -17.76 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.19 161.97 9.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.04 -169.03 30.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -41.7 -66.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -44.56 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -44.37 -64.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 14.7 m -40.65 -43.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -63.81 -45.32 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.67 -44.29 90.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 97' ' ' THR . 95.3 mt -47.7 -50.93 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -57.34 -41.17 79.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.93 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.86 -31.34 71.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.8 51.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -130.09 10.15 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.1 tt -109.11 -49.59 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -58.19 -43.84 98.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.6 Cg_exo -48.0 -21.37 2.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.28 -44.02 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.8 t -46.38 -41.01 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.786 ' CE1' HD11 ' A' ' 107' ' ' LEU . 60.4 m170 -73.71 -40.9 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -48.59 -21.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.708 ' N ' HD21 ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.97 37.29 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.5 p -71.35 -49.94 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.708 HD21 ' N ' ' A' ' 15' ' ' ALA . 4.1 p30 -54.72 -44.6 73.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -51.97 -34.18 41.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mt -80.39 -43.16 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 41.3 mt-30 -49.95 -39.19 39.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -41.99 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 25' ' ' SER . 32.1 pt -60.94 -36.12 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 m -72.24 -54.28 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.0 -66.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.09 153.96 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -73.58 -56.05 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -133.74 125.97 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.73 125.89 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' HB ' HG23 ' A' ' 56' ' ' VAL . 26.7 mt -115.32 115.7 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -101.49 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -120.61 149.56 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.879 ' HG2' HG21 ' A' ' 81' ' ' VAL . 12.5 pttt -116.33 33.69 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 57.2 p 33.61 46.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -127.67 -45.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.3 t -90.14 137.57 32.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -58.43 -39.89 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 40.6 m-85 -46.7 -22.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' THR . 10.3 p -48.7 -44.53 38.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 3.5 t -72.65 -31.05 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtp -63.33 -41.32 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -57.27 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HE2' HG21 ' A' ' 56' ' ' VAL . 56.2 mttt -57.5 -53.55 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -54.22 -43.03 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 tp -52.69 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -49.66 -46.23 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -49.16 -40.05 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.21 -35.8 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.58 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 13.4 mtm -74.02 -7.01 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 59.87 33.99 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASN . 71.5 t -103.25 97.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -34.24 110.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -118.91 172.14 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -136.24 105.92 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 31' ' ' ILE . 1.2 p -98.26 145.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.5 t -133.24 111.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -78.99 108.69 12.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.606 HD23 HD12 ' A' ' 62' ' ' LEU . 38.0 mt -76.29 -49.71 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -45.41 -33.08 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.48 -26.15 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 59' ' ' LEU . 13.8 mt -64.05 120.46 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.24 -35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -105.49 36.28 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.12 98.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.19 -21.23 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.9 -67.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -62.77 -44.47 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.13 -47.73 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.63 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 30.5 mt -62.38 -57.2 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -40.04 -27.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.5 mtpt -78.92 -48.11 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.6 mtm -70.92 -19.41 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.699 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 18.1 p -104.0 -31.48 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 -30.19 7.66 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -130.78 152.21 50.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -89.13 50.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.5 p -95.74 140.95 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.879 HG21 ' HG2' ' A' ' 34' ' ' LYS . 3.2 m -137.51 154.42 75.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.716 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.74 177.35 29.12 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.372 -0.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -127.59 114.73 17.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.06 143.35 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.699 ' HZ ' HG22 ' A' ' 76' ' ' THR . 25.1 m-85 -141.83 119.21 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.23 113.35 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 62.79 26.53 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 43.44 10.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.51 130.74 13.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -75.74 90.52 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -74.72 -17.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.73 166.03 11.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.85 -161.06 8.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -54.93 -63.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -47.39 -66.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.43 -58.56 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.684 HG23 HD11 ' A' ' 106' ' ' LEU . 3.5 m -46.54 -43.23 16.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -63.76 -39.65 94.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -68.21 -45.21 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 97' ' ' THR . 67.1 mt -46.72 -52.42 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.58 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 78.5 t60 -47.75 -43.96 27.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.25 -52.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 38.5 mt-10 -62.93 -11.57 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.23 27.5 59.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 10.0 mttp -111.43 18.53 19.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 97' ' ' THR . 4.7 tt -121.96 -44.1 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.3 -43.81 91.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.96 -23.94 4.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.65 -44.53 6.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 106' ' ' LEU . 72.2 t -45.51 -31.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.749 ' CE1' HD11 ' A' ' 107' ' ' LEU . 46.4 m170 -81.3 -52.52 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -51.71 -29.55 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.615 0.722 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -45.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.8 p -48.36 -45.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.5 m-20 -52.09 -48.67 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -54.38 -35.66 63.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -75.8 -43.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -58.48 -40.85 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.0 pt-20 -71.46 -40.92 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 HG21 ' A' ' 30' ' ' VAL . 58.6 m -57.13 -51.04 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.88 HD12 ' HA2' ' A' ' 88' ' ' GLY . 45.1 pt -59.19 -38.43 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 24' ' ' ILE . 55.0 m -68.83 -47.45 65.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.76 -62.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.49 173.81 6.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 m -93.51 -50.34 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 64.3 t -133.53 126.94 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.664 HG21 HG22 ' A' ' 23' ' ' THR . 58.7 t -123.99 111.68 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.596 HD11 ' CD2' ' A' ' 47' ' ' PHE . 20.7 mt -98.06 127.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 72' ' ' LEU . 70.5 m-85 -110.15 115.4 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 p -129.14 151.83 49.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 81' ' ' VAL . 22.0 pttt -118.16 34.21 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 41.5 p 33.63 46.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.7 m -128.92 -45.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 3.9 t -94.21 129.62 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' TYR . 13.3 t -41.39 -52.93 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 47.6 m-85 -35.49 -37.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' TYR . 28.6 p -34.09 -44.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 42' ' ' MET . 12.6 t -76.41 -44.85 34.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 41' ' ' THR . 14.5 mtp -41.32 -49.64 3.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.41 -57.31 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 56' ' ' VAL . 29.6 mttm -52.33 -55.03 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -56.89 -46.11 82.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -49.03 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 73.2 m-85 -62.15 -47.9 82.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.16 -51.48 18.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.28 -35.44 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 mtp -77.68 -12.19 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 62.07 33.74 16.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' ASN . 97.0 t -102.39 101.43 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -34.83 109.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -117.19 172.08 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -134.4 105.62 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG11 ' NZ ' ' A' ' 44' ' ' LYS . 1.2 p -99.3 142.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -129.05 113.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -81.43 101.32 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 72' ' ' LEU . 79.8 mt -69.77 -51.34 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -46.09 -47.49 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.41 -40.63 70.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.9 131.26 26.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.14 -36.18 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.14 40.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.92 61.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -48.33 -35.37 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.82 -71.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.39 -23.38 37.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.44 -46.74 87.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.3 -53.76 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.88 -52.48 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' THR . 31.3 mt -56.96 -45.47 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -54.21 -31.14 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -80.13 -50.36 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.924 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.9 mtm -68.2 -20.02 64.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.706 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 29.3 p -102.3 -38.56 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.48 8.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 174.98 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -106.48 45.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.718 ' O ' HG13 ' A' ' 81' ' ' VAL . 66.8 p -95.71 165.29 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 80' ' ' THR . 2.5 m -164.97 155.41 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.81 -178.6 17.16 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.334 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.648 ' NH2' ' CZ ' ' A' ' 90' ' ' PHE . 24.2 mmm180 -137.87 117.59 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.91 139.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.706 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.8 m-85 -134.76 118.02 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 29' ' ' VAL . 98.0 t -108.57 133.78 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 44.7 47.75 8.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.88 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.52 33.85 83.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -143.36 143.34 31.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 77.8 t80 -91.04 87.67 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -62.57 -23.35 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.518 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . 144.18 165.88 11.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.31 -172.94 4.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.45 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.19 -58.62 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 m -51.73 -58.68 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -64.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 106' ' ' LEU . 29.1 m -42.42 -41.63 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.09 -48.22 82.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -59.17 -50.0 75.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 97' ' ' THR . 86.4 mt -42.88 -56.14 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -46.37 -50.95 15.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.22 -62.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.31 -22.56 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.44 49.6 2.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -122.5 -6.01 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 106' ' ' LEU . 4.1 tt -97.55 -53.63 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.69 -44.04 98.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.9 Cg_exo -47.96 -32.59 18.29 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.09 -34.66 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.79 -60.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.603 ' CE1' HD11 ' A' ' 107' ' ' LEU . 29.8 m170 -52.71 -52.37 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -41.12 -47.25 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.721 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.3 Cg_endo -69.79 -41.71 4.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.8 p -55.6 -38.46 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.424 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 80.2 m-20 -60.49 -51.07 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -47.88 -35.13 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 17' ' ' VAL . 18.3 mt -73.94 -51.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -41.72 -37.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.81 -37.67 73.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.568 HG22 HG21 ' A' ' 30' ' ' VAL . 26.3 m -59.84 -49.44 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 25' ' ' SER . 36.1 pt -60.56 -32.17 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 27.2 t -65.13 -59.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -56.51 13.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -82.39 95.59 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -40.27 -32.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.24 128.51 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.717 HG11 ' CE2' ' A' ' 32' ' ' PHE . 75.7 t -134.44 118.3 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.13 101.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.717 ' CE2' HG11 ' A' ' 30' ' ' VAL . 58.8 m-85 -88.89 105.94 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p -110.81 167.27 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HE3' ' CB ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -112.78 4.22 16.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p 48.27 45.84 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -130.06 -34.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' CB ' ' HE3' ' A' ' 34' ' ' LYS . 11.9 t -113.47 159.96 18.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 m -63.75 -37.15 86.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -43.34 -37.77 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -40.51 38.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 3.4 m -81.27 -30.44 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.0 mmm -59.31 -39.6 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -62.54 -66.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 3.8 pttp -59.84 -32.14 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' THR . 75.2 tttt -61.8 -38.66 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 98' ' ' HIS . 7.3 tp -67.53 -51.66 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.02 -39.99 96.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -52.44 -57.16 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.88 -33.3 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 mtp -75.87 -14.97 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 70.94 35.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.9 102.48 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -39.94 114.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 44' ' ' LYS . 35.6 p90 -117.05 171.81 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -133.62 105.78 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.44 133.03 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.4 t -122.7 115.25 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 61' ' ' LEU . 4.4 mp0 -78.67 102.83 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' LEU . 90.7 mt -70.97 -49.4 45.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.96 -36.86 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.705 HD22 ' CB ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.34 -35.53 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' LEU . 17.1 mt -57.5 148.61 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.76 -40.53 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -101.44 38.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.84 -47.74 86.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -56.88 -17.07 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.19 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.33 -30.48 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.12 -49.48 75.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.5 -58.33 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.7 -49.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' MET . 24.9 mt -60.89 -57.11 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CD2' ' C ' ' A' ' 78' ' ' GLU . 6.8 t80 -42.09 -29.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -80.46 -37.53 31.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtm -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.652 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 10.5 p -95.7 -43.1 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.32 -19.64 22.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -127.89 -176.42 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -111.79 -7.03 14.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.698 ' O ' HG13 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -44.35 167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -167.64 159.35 9.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.122 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.77 -179.92 20.53 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.315 -0.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.423 ' NH2' ' HA ' ' A' ' 79' ' ' ARG . 47.9 mtt180 -114.22 113.57 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.07 129.13 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.652 ' HZ ' HG22 ' A' ' 76' ' ' THR . 11.0 m-85 -125.7 119.19 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 HD12 ' A' ' 91' ' ' ILE . 98.0 t -103.8 111.13 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.36 35.22 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.58 44.88 38.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -153.71 146.78 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.16 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -90.59 108.79 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.781 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.44 -19.36 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 170.87 17.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.25 -156.06 32.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.7 -70.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.92 -68.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.466 ' O ' HD12 ' A' ' 106' ' ' LEU . 99.3 m -40.19 -43.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.646 ' HA ' HD22 ' A' ' 46' ' ' LEU . 4.6 t60 -65.61 -49.17 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -39.57 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.0 mt -53.63 -52.59 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.51 -37.7 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -59.73 -55.24 36.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -68.81 -27.06 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.57 35.65 4.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -114.68 9.85 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 110' ' ' VAL . 7.9 tt -109.52 -48.92 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.748 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -57.22 -43.96 99.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.98 -34.58 23.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.03 -30.04 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 106' ' ' LEU . 70.9 t -58.08 -57.27 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.748 ' CE1' HD11 ' A' ' 107' ' ' LEU . 42.7 m170 -49.4 -40.8 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.46 -28.77 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.79 -40.26 5.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.302 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 18' ' ' ASN . 7.6 p -53.57 -41.87 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 17' ' ' VAL . 48.8 m-20 -55.4 -42.56 74.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 49.1 mm-40 -60.41 -31.45 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.4 mt -80.71 -48.73 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -47.27 -36.71 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.27 -42.29 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 m -58.14 -51.02 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 31.3 pt -60.96 -26.83 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -76.95 -57.82 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.76 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -78.54 161.73 26.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 99.9 m -83.82 -51.78 6.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.34 140.98 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.98 136.52 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -124.18 105.66 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -91.85 107.26 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -114.24 169.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.3 pttt -131.37 28.88 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.1 p 31.43 46.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -133.02 -40.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.37 167.51 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 m -87.07 -40.44 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 21.7 m-85 -47.57 -26.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.5 p -48.87 -24.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -92.46 -35.47 13.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 8.5 ptm -59.82 -41.7 91.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.91 -56.29 5.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 56' ' ' VAL . 61.1 mttt -55.01 -41.91 71.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -72.36 -36.56 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.85 -52.66 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.55 -46.89 68.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -47.86 -52.13 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.98 -33.99 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.407 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -75.59 -14.71 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 71.28 30.78 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 110' ' ' VAL . 84.8 t -103.82 98.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.9 t-20 -35.5 115.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -116.63 172.06 7.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 106.66 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -93.1 148.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -146.85 105.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.584 ' HB3' HD23 ' A' ' 61' ' ' LEU . 2.8 mp0 -78.57 115.32 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.83 HD11 HD12 ' A' ' 72' ' ' LEU . 86.3 mt -78.91 -43.56 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 61' ' ' LEU . 11.2 t70 -60.54 -12.47 10.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.654 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.3 -40.49 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.4 mt -55.31 161.86 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.43 -34.83 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -106.44 33.98 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.17 88.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.71 -24.29 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -82.83 -70.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.2 m-85 -52.17 -20.98 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.47 -43.15 73.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.46 -45.71 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.48 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.83 HD12 HD11 ' A' ' 59' ' ' LEU . 30.8 mt -66.59 -47.33 73.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -51.0 -25.08 4.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -84.19 -51.19 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.0 mtm -59.85 -19.78 53.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.681 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 15.1 p -104.01 -43.59 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.82 -22.78 31.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -128.7 159.57 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -99.57 50.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.799 ' O ' HG13 ' A' ' 81' ' ' VAL . 31.1 p -98.38 174.98 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 80' ' ' THR . 2.7 m -167.05 155.05 8.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.4 Cg_endo -69.76 -179.43 19.15 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.348 -0.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.445 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.96 114.69 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.06 138.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.681 ' HZ ' HG22 ' A' ' 76' ' ' THR . 23.4 m-85 -138.24 120.39 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.0 t -102.99 116.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 53.64 41.08 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 68.8 42.7 78.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.56 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.0 m -147.73 129.73 15.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.24 89.06 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.91 -25.34 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.3 13.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -68.82 169.45 42.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -36.04 -61.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -49.89 -68.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -40.68 -58.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.633 ' CG2' HD11 ' A' ' 106' ' ' LEU . 54.3 m -43.44 -53.74 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -50.24 -39.21 44.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -65.71 -43.52 88.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.6 mt -47.65 -51.29 22.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.407 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 9.7 t60 -53.77 -61.66 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -42.07 -47.67 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.99 -28.27 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.35 46.47 2.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -127.41 8.96 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.633 HD11 ' CG2' ' A' ' 97' ' ' THR . 3.4 tt -101.94 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.625 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -54.72 -43.87 98.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.91 -29.42 11.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.66 -40.3 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 52' ' ' VAL . 95.1 t -47.5 -44.11 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.625 ' CE1' HD11 ' A' ' 107' ' ' LEU . 51.8 m170 -65.72 -41.49 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -40.19 -37.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.612 0.72 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.692 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.82 -41.9 3.8 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.6 p -52.26 -46.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.575 HD22 ' HB3' ' A' ' 15' ' ' ALA . 44.1 m-80 -54.09 -51.84 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -51.69 -37.35 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' THR . 34.9 mt -71.65 -54.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -39.61 -41.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.71 -38.93 92.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' ILE . 94.3 m -64.08 -48.44 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.513 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.4 pt -67.52 -34.98 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -60.36 -40.54 91.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.6 -63.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -73.7 158.28 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -85.38 -53.31 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.65 114.48 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 24' ' ' ILE . 79.9 t -114.56 110.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 47' ' ' PHE . 56.8 mt -101.19 100.24 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 20.4 m-85 -87.71 116.08 25.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -122.02 152.33 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' THR . 8.8 ptpt -119.74 27.53 8.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . 62.1 p 33.57 49.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.8 m -130.07 -45.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.94 171.63 9.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -82.45 -41.95 19.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 23.5 m-85 -48.52 -21.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 13.5 p -53.42 -22.99 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.2 t -95.08 -40.05 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 10.3 ptm -56.1 -41.68 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.42 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -53.28 -49.47 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.42 -35.88 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.89 -65.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 81.7 m-85 -64.7 -42.77 95.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -52.92 -52.39 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.15 -31.23 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.1 mtp -78.55 -10.95 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 m120 64.12 33.79 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 110' ' ' VAL . 93.7 t -105.13 99.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 26.1 t-20 -35.38 113.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -116.9 172.14 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -131.05 105.57 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.1 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 81.7 t -134.57 105.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.57 100.12 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 32' ' ' PHE . 32.3 mt -71.38 -52.08 20.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.43 -48.69 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -74.13 -39.23 63.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD22 ' CE1' ' A' ' 64' ' ' TYR . 17.5 mt -57.58 144.9 35.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 7.4 pt-20 -67.47 -25.2 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.76 ' CE1' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -108.21 35.93 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.86 -41.74 9.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.55 -12.82 48.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 64' ' ' TYR . 5.8 pt20 -95.09 -46.78 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' A' ' 20' ' ' ILE . 23.8 m-85 -78.68 -14.72 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.12 -37.04 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.21 -50.75 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -39.25 65.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 76' ' ' THR . 20.5 mt -63.72 -52.35 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -46.88 -28.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -80.4 -47.57 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 20.8 mtm -65.43 -20.22 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.5 p -97.88 -51.91 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.11 -14.98 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.94 173.6 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -102.04 42.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.6 p -96.84 117.61 31.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -120.26 157.85 52.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.75 179.54 21.99 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.331 -0.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG3' HG12 ' A' ' 81' ' ' VAL . 24.6 mtt-85 -122.81 120.87 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.8 135.76 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -132.98 122.5 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.93 107.59 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 66.44 30.6 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.23 41.57 21.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -147.24 127.6 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.159 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 50.7 t80 -75.1 89.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -73.03 -24.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.65 159.56 9.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -71.34 173.87 42.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -35.05 -60.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 m -48.16 -64.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -47.63 -59.05 3.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 100' ' ' LEU . 95.8 m -41.99 -44.02 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -59.91 -41.7 92.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -66.74 -49.48 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 97' ' ' THR . 71.1 mt -42.12 -57.06 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -47.95 -40.6 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -70.75 -52.41 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.78 -17.05 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.64 46.86 5.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -131.5 15.74 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.9 tt -116.34 -58.97 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.31 -43.69 99.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.1 Cg_exo -48.0 -25.28 6.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -95.81 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 52' ' ' VAL . 47.0 t -58.08 -34.73 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.873 ' CE1' HD11 ' A' ' 107' ' ' LEU . 56.8 m170 -93.95 39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -131.76 -39.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.583 HG23 ' HB1' ' A' ' 71' ' ' ALA . 4.9 p -51.49 -36.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.05 -30.0 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.525 HG23 ' CZ ' ' A' ' 32' ' ' PHE . 29.5 mt -81.65 -41.62 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.07 -41.44 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.8 -32.5 74.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.527 HG22 HG21 ' A' ' 30' ' ' VAL . 97.4 m -69.29 -51.79 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.608 HD12 ' HA2' ' A' ' 88' ' ' GLY . 16.3 pt -64.55 -33.93 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -66.52 -39.33 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -82.42 -59.51 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -64.93 168.17 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -89.65 -48.93 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 47' ' ' PHE . 45.8 t -134.53 130.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 23' ' ' THR . 86.8 t -129.07 110.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 47' ' ' PHE . 72.6 mt -98.12 112.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' HG23 ' A' ' 20' ' ' ILE . 29.0 m-85 -98.67 109.32 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 p -117.79 153.39 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 35' ' ' THR . 11.0 ptmt -118.0 33.01 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.683 HG21 HD21 ' A' ' 61' ' ' LEU . 43.2 p 30.29 45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.459 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 33.0 t -122.89 -46.14 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.11 161.08 14.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -73.23 -28.07 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 60.2 m-85 -56.47 -15.62 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 18.2 p -55.75 -36.35 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' MET . 1.3 t -82.9 -39.2 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 30.7 mtp -48.47 -52.88 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 31' ' ' ILE . . . -55.65 -48.04 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.6 mppt? -60.13 -60.11 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -28.98 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 97' ' ' THR . 31.0 tp -64.85 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 31' ' ' ILE . 57.4 m-85 -63.47 -46.38 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -51.23 -55.75 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.58 -30.36 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 27.7 mtp -80.76 -13.66 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.93 34.2 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.9 t -105.88 101.83 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.7 t-20 -37.71 111.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -119.0 172.19 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.91 106.2 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -91.48 137.26 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -128.5 101.9 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.697 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.5 mt-10 -69.57 131.49 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 68' ' ' PHE . 12.9 mt -103.61 -43.54 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.43 -26.4 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 58' ' ' GLU . 1.2 mm? -93.91 -41.3 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 58' ' ' GLU . 11.6 mt -45.84 172.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -80.83 -56.46 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 2.3 p90 -91.75 38.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.53 -49.19 61.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -50.81 -24.27 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.73 -67.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CB ' HD22 ' A' ' 59' ' ' LEU . 3.4 m-85 -55.42 -15.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -74.01 -52.29 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.88 -49.36 65.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.22 -53.03 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.87 -60.44 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -41.33 -29.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -86.27 -40.02 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.426 ' CG ' ' CG2' ' A' ' 17' ' ' VAL . 10.6 mtm -61.06 -29.69 69.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -115.68 -52.52 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.8 -11.8 9.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -110.06 150.35 28.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 2.3 mtm180 -93.3 -33.2 14.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -37.35 153.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.501 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -144.96 159.2 50.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 111.128 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.74 -178.42 16.65 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.36 -0.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HD2' HG12 ' A' ' 81' ' ' VAL . 6.0 mpt_? -112.11 124.38 52.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 91' ' ' ILE . 4.6 mp -104.35 133.06 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 42.4 m-85 -136.33 136.6 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.451 HG23 HD12 ' A' ' 91' ' ' ILE . 91.5 t -120.25 109.06 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.5 OUTLIER 66.18 36.44 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.86 34.94 72.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -145.89 120.72 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 111.135 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 45.2 t80 -62.53 134.5 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -125.15 -13.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.55 165.84 11.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.41 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -82.08 -161.67 29.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -49.94 -54.74 17.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -59.91 -68.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.47 -55.71 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -50.54 -45.02 56.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -41.07 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 102' ' ' LYS . 68.6 ttt180 -64.35 -51.83 61.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 106' ' ' LEU . 89.4 mt -40.54 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.8 t60 -51.71 -33.82 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' ARG . 51.6 mttt -76.93 -56.46 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.28 -25.41 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.27 42.09 4.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -129.21 14.07 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 100' ' ' LEU . 4.8 tt -112.87 -46.15 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.762 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -65.12 -43.69 67.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 63.9 Cg_exo -47.96 -28.45 10.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.83 -43.87 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 106' ' ' LEU . 73.6 t -50.47 -34.45 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 107' ' ' LEU . 55.3 m170 -91.58 38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -130.32 -41.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.567 0.699 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -43.34 2.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.9 p -52.91 -40.72 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 17' ' ' VAL . 38.7 m-20 -59.4 -47.3 85.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.04 -24.73 10.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.503 HG23 ' CE2' ' A' ' 32' ' ' PHE . 46.4 mt -87.72 -43.24 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.15 -23.78 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.7 pt-20 -85.3 -39.86 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 30' ' ' VAL . 33.8 m -63.5 -36.22 83.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.582 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.5 pt -75.49 -31.73 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.8 t -75.75 -59.33 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -51.86 -48.31 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -86.24 -176.01 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.0 -47.28 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.38 132.44 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 32' ' ' PHE . 97.0 t -128.8 111.2 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mt -94.91 99.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 30' ' ' VAL . 50.1 m-85 -87.5 104.57 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.3 p -140.1 172.0 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HE3' HG21 ' A' ' 81' ' ' VAL . 14.4 ptpt -122.25 -173.74 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.6 p -109.12 59.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -133.68 -39.68 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -95.97 160.0 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 p -79.03 -45.59 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' THR . 21.8 m-85 -45.72 -37.29 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -39.99 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.3 t -94.27 -38.65 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 10.8 ptm -54.93 -46.8 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.58 -51.84 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.61 -51.75 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -58.19 -45.73 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.01 -72.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.89 -38.18 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -48.96 -49.41 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -65.71 -28.15 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 9.9 mtm -81.58 -9.95 59.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 64.41 37.52 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.3 t -107.23 95.52 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' VAL . 69.9 m-80 -34.64 114.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -121.73 166.21 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -132.4 105.76 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.2 132.15 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.4 t -119.25 123.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -86.53 105.58 16.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.4 mt -72.98 -18.24 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.63 -57.38 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' H ' HD22 ' A' ' 61' ' ' LEU . 1.6 mm? -66.95 -27.37 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' GLY . 13.8 mt -59.94 108.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.7 -40.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -99.76 40.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -64.84 -51.04 55.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -53.08 -20.05 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -79.67 -70.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.52 -21.13 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.67 -41.1 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.84 -47.57 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.23 64.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' THR . 34.7 mt -66.7 -50.77 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.99 -18.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -87.77 -49.28 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.18 -14.77 63.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 72' ' ' LEU . 6.3 p -107.51 -40.14 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.3 53.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 80' ' ' THR . 6.9 tt0 -146.93 159.41 43.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -104.74 51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.523 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 54.2 p -106.78 107.56 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -95.5 160.45 30.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.684 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.71 -177.6 14.83 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.358 -0.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -136.15 115.42 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 91' ' ' ILE . 4.7 mp -98.03 138.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.545 ' HZ ' HG22 ' A' ' 76' ' ' THR . 29.8 m-85 -133.98 118.35 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 81.3 t -109.13 141.21 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' VAL . 34.5 t-20 35.02 47.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.18 39.61 97.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' VAL . 0.7 OUTLIER -128.44 -177.87 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.169 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 76' ' ' THR . 8.6 t80 -132.26 71.79 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -57.86 -18.92 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.63 -155.63 22.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.07 -159.31 25.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -55.97 -70.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.08 -68.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -44.04 -61.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.65 -51.91 67.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -59.05 -41.05 86.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 91' ' ' ILE . 40.5 mt -50.91 -55.03 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 74.5 t60 -53.14 -42.94 66.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -55.85 -67.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.52 -23.89 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.24 38.26 5.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.54 -3.52 16.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 110' ' ' VAL . 7.2 tt -99.97 -35.26 9.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.98 -43.89 88.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.94 -26.46 7.46 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.4 -43.26 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 106' ' ' LEU . 46.4 t -50.43 -37.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.796 ' CE1' HD11 ' A' ' 107' ' ' LEU . 30.0 m170 -70.4 -21.64 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -76.4 -13.19 60.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.581 0.705 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.2 Cg_endo -69.79 -43.25 2.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.63 -33.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 64.9 m-80 -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.93 -31.9 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.658 HD11 ' HD1' ' A' ' 68' ' ' PHE . 59.5 mt -75.75 -40.12 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.52 -41.87 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -72.72 -36.68 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -63.76 -54.44 35.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.841 HD12 ' HA2' ' A' ' 88' ' ' GLY . 46.6 pt -52.3 -33.55 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' ILE . 40.8 t -70.9 -62.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.3 -58.16 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -77.74 151.66 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.0 t -70.21 -53.37 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -131.1 140.59 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 88.0 t -135.3 124.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 56' ' ' VAL . 39.0 mt -115.64 116.9 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.459 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 65.6 m-85 -103.64 106.72 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -117.71 145.42 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 pttp -108.94 34.5 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.3 p 32.86 42.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.7 m -119.6 -47.27 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -95.22 130.71 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' CYS . 6.1 m -46.12 -50.09 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 44.5 m-85 -37.53 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' SER . 31.2 p -39.69 -41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 t -76.08 -38.41 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.1 mmm -50.24 -56.06 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.06 -62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.85 -40.83 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -58.78 -33.19 70.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' ND1' ' A' ' 98' ' ' HIS . 16.1 tp -70.94 -55.63 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 31' ' ' ILE . 66.5 m-85 -63.12 -54.12 42.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.95 -45.24 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -65.51 -34.86 79.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 18.3 mtp -78.18 -8.02 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 62.02 35.81 15.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.8 t -105.38 103.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' VAL . 23.0 t-20 -38.01 110.45 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 44' ' ' LYS . 36.6 p90 -116.58 171.98 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -136.25 110.11 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HD2' ' A' ' 44' ' ' LYS . 1.2 p -102.28 140.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.5 t -128.26 113.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -79.67 99.86 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 62' ' ' LEU . 82.0 mt -71.08 -50.21 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 3.8 t70 -43.54 -47.12 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.31 -39.93 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 59' ' ' LEU . 35.4 mt -53.42 136.89 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -57.65 -41.14 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -98.8 37.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.56 29.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -47.57 -29.65 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.95 -72.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.658 ' HD1' HD11 ' A' ' 20' ' ' ILE . 31.9 m-85 -57.07 -25.46 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -61.4 -48.73 79.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.68 -57.17 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.87 -51.66 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' A' ' 20' ' ' ILE . 28.2 mt -56.78 -50.7 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -47.94 -29.02 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -79.24 -44.99 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 16.4 mtm -70.41 -25.12 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.607 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 28.4 p -99.29 -38.84 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.6 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 80' ' ' THR . 2.7 tp10 -123.21 153.99 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 17.4 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 78' ' ' GLU . 76.2 p -64.45 158.38 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -155.01 158.56 32.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.76 -178.1 16.0 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.333 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD3' HG21 ' A' ' 76' ' ' THR . 1.6 mmp_? -121.02 112.6 18.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 93' ' ' GLY . 5.2 mp -100.94 136.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.607 ' HZ ' HG22 ' A' ' 76' ' ' THR . 15.5 m-85 -135.49 118.22 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.678 HG23 HD12 ' A' ' 91' ' ' ILE . 95.0 t -99.38 121.33 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 48.59 40.33 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.841 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.37 36.53 78.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.5 m -144.22 126.15 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -74.52 112.83 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.791 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -102.86 -29.26 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.0 167.1 22.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -81.92 -156.97 18.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -51.95 -58.49 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.2 m -58.99 -71.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.17 -61.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.529 HG22 ' CD2' ' A' ' 46' ' ' LEU . 66.4 m -41.46 -49.0 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' HD13 ' A' ' 46' ' ' LEU . 2.5 t60 -56.81 -53.79 53.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -52.07 -53.55 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.0 mt -40.42 -58.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 55.3 t60 -51.6 -47.36 63.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -51.72 -64.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 53.03 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -126.34 -8.84 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 110' ' ' VAL . 6.0 tt -94.73 -55.93 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.63 -44.64 95.59 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.0 Cg_exo -47.97 -33.38 20.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.216 . . . . 0.0 112.41 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -88.2 -37.82 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.518 HG23 HD23 ' A' ' 106' ' ' LEU . 87.3 t -49.35 -53.63 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.55 ' CE1' HD11 ' A' ' 107' ' ' LEU . 31.8 m170 -54.01 -42.28 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.31 -55.17 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 110' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.75 -38.79 7.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.45 -37.63 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.89 -46.93 87.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 26.4 mt-30 -51.57 -24.86 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.5 HG23 ' CE2' ' A' ' 32' ' ' PHE . 32.4 mt -88.26 -35.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -61.8 -36.68 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.28 -38.37 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.9 m -64.86 -50.9 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.56 HD12 ' HA2' ' A' ' 88' ' ' GLY . 41.1 pt -57.88 -32.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 24' ' ' ILE . 37.4 t -66.93 -59.75 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.79 -56.16 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -79.34 173.11 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.45 -56.47 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.6 t -119.9 125.02 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -126.02 113.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' CD2' ' A' ' 47' ' ' PHE . 33.0 mt -99.79 109.68 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CE2' HG23 ' A' ' 20' ' ' ILE . 22.5 m-85 -92.83 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.1 p -113.19 171.92 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.739 ' CD ' HG21 ' A' ' 81' ' ' VAL . 17.8 ptmt -131.36 25.01 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.652 HG21 ' CD1' ' A' ' 61' ' ' LEU . 3.1 t 32.13 45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 1.2 t -134.95 -41.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 81' ' ' VAL . 20.7 p -90.66 146.25 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -61.6 -28.22 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.408 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 35.4 m-85 -64.64 -16.2 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.4 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -67.59 -29.27 68.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 mmm -53.69 -57.89 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -61.51 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -46.57 -38.2 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -71.11 -49.64 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -45.94 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HD11 ' A' ' 31' ' ' ILE . 86.7 m-85 -57.21 -40.13 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -51.78 -57.18 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -56.91 -33.46 66.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 mtp -77.2 -9.2 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 59.56 37.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 110' ' ' VAL . 86.9 t -105.94 103.54 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' VAL . 54.1 t30 -38.16 110.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -116.7 171.06 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -129.74 105.61 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.58 141.53 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 105.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.6 ' HB2' HD22 ' A' ' 61' ' ' LEU . 17.6 mt-10 -77.06 99.91 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 72' ' ' LEU . 30.6 mt -58.05 -48.17 80.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -45.2 -37.92 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 35' ' ' THR . 4.6 mp -72.69 -37.03 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.4 mt -58.08 161.71 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -80.28 -42.15 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -99.66 40.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.25 -42.6 95.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.5 -19.4 24.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -84.23 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.4 m-85 -58.65 -25.97 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.46 -47.73 82.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -44.76 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.57 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 76' ' ' THR . 23.7 mt -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.2 -27.83 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -84.24 -44.86 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.1 mtm -66.34 -22.59 66.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -101.51 -47.6 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.32 -24.04 11.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -131.76 162.69 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -96.39 51.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.1 p -108.14 117.79 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -114.93 156.92 44.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.79 -178.73 17.4 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HG2' HG21 ' A' ' 76' ' ' THR . 0.1 OUTLIER -117.24 113.37 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.31 131.93 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HZ ' HG22 ' A' ' 76' ' ' THR . 17.3 m-85 -133.52 121.61 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 91' ' ' ILE . 98.7 t -102.54 114.6 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 56.62 43.26 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.87 39.71 93.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.2 m -149.23 140.55 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.9 120.84 27.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.871 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -109.07 -23.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.85 166.59 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -85.7 -176.22 50.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -34.21 -61.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -53.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 99' ' ' ARG . 82.8 m-20 -46.12 -68.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.605 ' CG2' HD11 ' A' ' 106' ' ' LEU . 87.7 m -39.7 -45.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -42.38 95.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ASP . 31.4 ttt180 -67.57 -46.91 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 105' ' ' LYS . 82.1 mt -41.91 -51.45 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -54.74 -44.15 73.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -52.11 -56.59 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -67.47 -30.95 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.93 45.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.74 7.48 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 97' ' ' THR . 5.6 tt -102.91 -59.25 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.761 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.7 OUTLIER -53.82 -44.19 97.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.7 Cg_exo -48.02 -29.67 12.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' HG11 ' A' ' 86' ' ' VAL . 16.4 mt -90.12 -37.3 14.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 52' ' ' VAL . 74.3 t -57.82 -42.33 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.761 ' CE1' HD11 ' A' ' 107' ' ' LEU . 42.4 m170 -92.31 56.07 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -134.8 -41.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 1.9 p -42.48 -45.25 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 5.3 m-20 -58.51 -49.69 76.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 87.3 mm-40 -47.14 -32.78 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.576 HG23 ' HZ ' ' A' ' 32' ' ' PHE . 32.9 mt -76.76 -48.84 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.11 -32.77 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 19' ' ' GLN . 5.0 pt-20 -80.56 -32.72 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 82.2 m -73.56 -37.53 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' HA2' ' A' ' 88' ' ' GLY . 29.0 pt -76.34 -16.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m -88.34 -29.62 20.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -81.56 -60.12 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -76.77 153.89 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -59.56 -69.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -118.46 148.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 94.1 t -126.25 109.5 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -98.59 105.03 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.576 ' HZ ' HG23 ' A' ' 20' ' ' ILE . 59.9 m-85 -89.36 107.02 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -120.46 152.78 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.536 ' CD ' HG21 ' A' ' 81' ' ' VAL . 3.5 pttp -120.42 28.85 7.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . 18.5 p 33.64 48.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.1 m -128.26 -45.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.41 140.2 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 41' ' ' THR . 22.0 m -57.98 -39.92 79.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -52.67 -24.9 9.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 p -57.72 -16.78 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 38' ' ' SER . 1.3 t -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.59 ' SD ' ' HB1' ' A' ' 94' ' ' ALA . 6.2 ptm -62.11 -47.0 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.12 -50.56 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -56.31 -49.12 75.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -64.83 -33.86 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD2' HG22 ' A' ' 97' ' ' THR . 46.9 tp -58.53 -64.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -64.93 -35.89 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.32 -57.04 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.5 -34.85 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.5 mtp -71.08 -13.59 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 68.45 31.83 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.596 ' CG1' HG11 ' A' ' 110' ' ' VAL . 34.4 t -104.03 112.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -52.92 116.76 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 29' ' ' VAL . 31.8 p90 -119.8 172.17 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -130.55 105.63 7.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.13 139.51 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.7 t -130.18 103.7 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -71.77 103.6 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.31 -49.6 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -47.45 -39.22 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.6 -30.15 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.18 134.32 55.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.91 -35.2 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -105.01 37.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -53.2 43.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -50.35 -18.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -86.82 -64.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.81 -14.21 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -73.9 -50.02 22.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.1 -44.21 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.74 -43.34 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.8 mt -65.79 -47.97 73.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 t80 -53.52 -22.58 8.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -82.69 -38.1 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.473 ' SD ' HG22 ' A' ' 17' ' ' VAL . 23.6 mtm -83.84 -13.99 52.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.604 HG21 HH12 ' A' ' 83' ' ' ARG . 4.9 p -117.44 -35.33 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 94.13 -20.23 48.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -104.25 163.91 12.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -128.92 26.82 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.98 154.06 17.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -134.81 159.01 73.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.177 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.78 -178.2 16.23 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.604 HH12 HG21 ' A' ' 76' ' ' THR . 1.0 OUTLIER -133.0 117.52 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.469 HG22 HD11 ' A' ' 91' ' ' ILE . 4.2 mp -98.22 130.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 32.3 m-85 -123.98 118.03 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -108.51 126.71 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 44.85 47.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.866 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.7 38.8 95.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -143.75 148.37 35.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -95.6 89.36 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -75.15 -17.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.21 170.45 16.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.6 -160.31 25.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.59 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -53.05 -62.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.64 -63.8 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.01 -63.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.634 HG23 HD11 ' A' ' 106' ' ' LEU . 97.6 m -41.68 -46.13 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -45.32 89.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 102' ' ' LYS . 43.9 ttt180 -67.13 -52.93 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.4 mt -37.41 -51.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -58.12 -37.51 74.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.0 mmmt -61.47 -61.01 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.4 -34.39 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.1 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -122.33 15.6 10.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 97' ' ' THR . 5.2 tt -112.2 -46.38 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.004 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.29 -43.21 92.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.2 Cg_exo -47.96 -30.23 13.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.2 -46.01 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' LEU . 44.4 t -48.52 -27.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 1.004 ' CE1' HD11 ' A' ' 107' ' ' LEU . 17.6 m170 -101.68 30.08 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -124.14 -21.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.631 0.729 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.78 -42.19 3.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.513 HG23 ' HB1' ' A' ' 71' ' ' ALA . 7.1 p -55.37 -29.97 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.746 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 70.2 m-80 -68.11 -49.2 62.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.96 -29.17 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.99 -44.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -48.2 -41.2 26.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.29 -42.29 59.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -58.15 -56.71 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.626 HD12 ' HA2' ' A' ' 88' ' ' GLY . 47.9 pt -48.31 -37.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.4 m -73.74 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -47.45 -63.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.95 141.96 54.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -63.84 -43.66 95.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t -142.36 139.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.57 130.5 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -117.36 114.64 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -99.08 105.57 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.1 p -115.78 157.5 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' THR . 3.1 ptmm? -124.34 29.1 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LYS . 58.9 p 35.19 51.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -132.07 -45.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 t -98.63 125.78 44.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -47.0 -36.29 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' MET . 9.9 m-85 -44.09 -43.43 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 60.2 m -45.52 -36.9 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 m -70.86 -30.32 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.4 mmm -68.15 -54.56 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.01 62.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.22 -55.79 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -56.75 -40.08 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.16 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 65.0 m-85 -57.95 -49.25 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -47.7 -51.71 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.26 -37.82 81.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 mtp -73.21 -18.87 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 71.92 31.54 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ASN . 99.2 t -100.5 102.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' VAL . 18.5 t-20 -34.58 107.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -116.51 171.95 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -139.03 108.48 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.4 p -100.27 139.14 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' HE3' ' A' ' 55' ' ' LYS . 44.0 t -127.42 114.94 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -80.01 102.85 9.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 HD12 ' A' ' 62' ' ' LEU . 98.3 mt -73.04 -54.26 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' OD1' HD23 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -38.93 -40.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 60' ' ' ASP . 14.8 mt -80.66 -41.49 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 59' ' ' LEU . 11.8 mt -47.98 125.72 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.46 -37.88 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 6.1 p90 -102.55 39.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -55.58 27.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -49.98 -25.13 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.85 -71.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.4 -29.41 48.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.73 -50.57 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -63.78 -50.21 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.31 -53.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 76' ' ' THR . 25.5 mt -64.16 -42.52 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.25 -26.72 63.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.14 -41.75 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtm -72.1 -31.5 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 72' ' ' LEU . 13.9 p -93.79 -43.28 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.51 -27.09 14.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.61 -175.24 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -134.81 44.93 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.739 ' N ' HH12 ' A' ' 83' ' ' ARG . 50.8 p -90.97 110.11 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.529 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.9 m -99.8 152.65 37.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.72 -176.24 12.23 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.351 -0.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.739 HH12 ' N ' ' A' ' 80' ' ' THR . 13.8 mtp85 -129.77 111.66 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.36 132.14 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.23 117.99 23.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.667 HG23 HD12 ' A' ' 91' ' ' ILE . 91.7 t -105.35 111.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 55.51 44.44 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.626 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 64.76 40.87 97.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 m -149.01 136.71 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -80.73 120.66 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.52 -24.47 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 154.52 -176.84 32.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -100.76 -154.67 27.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.21 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -54.24 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -40.75 -62.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 100' ' ' LEU . 53.7 m -45.78 -42.66 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.86 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -70.21 -40.17 74.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 97' ' ' THR . 63.5 mt -53.81 -53.57 50.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.408 ' HB2' HD13 ' A' ' 106' ' ' LEU . 84.1 t60 -50.25 -45.33 54.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -55.57 -64.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' CG ' ' HE ' ' A' ' 99' ' ' ARG . 19.4 mm-40 -60.0 -27.11 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.84 51.86 1.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -128.62 -1.76 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.621 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.6 tt -101.16 -54.93 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.737 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.9 tm? -57.54 -42.54 96.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -47.95 -25.75 6.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CB ' HG11 ' A' ' 86' ' ' VAL . 14.6 mt -92.83 -39.84 10.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.82 -54.11 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.737 ' CE1' HD11 ' A' ' 107' ' ' LEU . 18.8 m170 -51.13 -50.81 58.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -44.04 -49.05 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.563 0.696 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.2 p -38.29 -42.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.471 ' N ' HG13 ' A' ' 17' ' ' VAL . 71.5 m-80 -60.3 -49.84 76.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -51.88 -23.66 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.706 HD11 ' HD1' ' A' ' 68' ' ' PHE . 40.9 mt -85.95 -45.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.49 -35.3 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.21 -34.05 63.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.5 m -73.62 -49.19 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.993 HD12 ' HA2' ' A' ' 88' ' ' GLY . 50.8 pt -64.02 -24.89 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -71.83 -40.72 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.28 -53.9 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -69.23 147.3 51.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -75.64 -47.47 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.11 125.35 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 32' ' ' PHE . 76.3 t -113.44 109.94 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.61 104.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.6 m-85 -94.24 110.76 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -112.58 165.56 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -133.39 31.08 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD21 ' A' ' 61' ' ' LEU . 33.2 p 32.4 44.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -123.8 -46.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.2 165.83 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 41' ' ' THR . 1.9 t -86.71 -32.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 21.3 m-85 -55.29 -17.67 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.4 p -55.67 -25.64 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 38' ' ' SER . 4.3 t -91.57 -37.15 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 8.2 ptm -61.04 -41.76 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -68.62 -59.3 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.053 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' CE ' HG21 ' A' ' 56' ' ' VAL . 58.9 mttt -52.89 -36.99 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.44 -37.13 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 tp -52.18 -54.15 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -68.12 -36.73 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -54.66 -55.13 32.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.33 -28.46 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 mtp -80.03 -11.21 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 63.59 38.52 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -110.6 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.0 m-20 -34.56 116.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -120.09 171.31 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG21 ' CE ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -96.87 130.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.529 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 38.8 t -130.77 99.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.792 ' CB ' HD23 ' A' ' 61' ' ' LEU . 5.9 mt-10 -74.19 111.04 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.8 mt -77.48 -45.68 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 12.9 t70 -39.07 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 58' ' ' GLU . 1.2 mm? -93.2 -46.89 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.3 153.82 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 13.2 pt-20 -77.99 -26.84 48.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.15 19.41 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.88 4.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.08 -24.74 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -79.47 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.706 ' HD1' HD11 ' A' ' 20' ' ' ILE . 17.0 m-85 -56.56 -24.55 47.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -61.75 -49.94 74.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 33.4 t0 -70.16 -47.03 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.728 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.7 mt -65.13 -53.45 45.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -46.72 -21.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE2' ' CG ' ' A' ' 70' ' ' ASP . 18.0 mttm -85.52 -45.09 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.1 mtm -69.62 -15.69 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 p -114.83 -39.96 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.38 57.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 80' ' ' THR . 6.0 tp10 -108.64 158.07 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 48.2 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.436 HG22 ' CG ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -111.36 149.68 30.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.1 m -133.15 154.92 81.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.78 178.76 24.41 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.481 HH21 HD12 ' A' ' 72' ' ' LEU . 3.2 mtm-85 -128.32 117.0 20.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -97.89 128.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.728 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 20.0 m-85 -121.56 117.92 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.702 HG23 HD12 ' A' ' 91' ' ' ILE . 20.2 t -111.78 108.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t30 59.95 44.61 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.993 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.8 43.87 98.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.1 m -148.03 143.13 27.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -90.06 79.39 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.702 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -62.05 -16.1 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.49 11.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.46 -155.32 5.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.52 -61.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 100' ' ' LEU . 39.4 m -45.36 -47.28 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.59 -44.18 89.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.94 -42.85 90.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 97' ' ' THR . 57.5 mt -49.16 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.424 ' N ' ' HB2' ' A' ' 106' ' ' LEU . 1.9 t60 -39.94 -59.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -43.29 -63.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 5.1 mm-40 -65.21 -15.85 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.18 43.62 5.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 1.8 mttp -126.17 23.42 7.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.3 tt -110.36 -56.18 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.694 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.99 -43.61 99.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.932 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -48.02 -34.4 23.01 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.48 -45.77 13.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -42.81 -55.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.694 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 39.2 m170 -50.1 -48.04 53.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.25 -16.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.571 0.701 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.73 -41.99 3.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.3 p -52.61 -42.48 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 17' ' ' VAL . 64.1 m-80 -54.32 -43.36 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -59.53 -35.0 73.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -45.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.32 -35.47 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.17 -32.35 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 m -66.02 -42.02 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.691 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.8 pt -66.33 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.6 p -61.42 -49.88 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.83 -60.86 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -66.66 154.2 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.2 m -81.1 -44.08 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 86' ' ' VAL . 98.8 t -138.4 125.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.94 122.98 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 mt -113.13 113.94 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 61.8 m-85 -98.84 110.83 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 p -113.91 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.603 ' CD ' HG21 ' A' ' 81' ' ' VAL . 12.4 ptmt -135.04 36.25 3.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.751 ' CG2' HD21 ' A' ' 61' ' ' LEU . 82.3 p 28.25 47.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 8.7 t -135.0 -43.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.97 126.73 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.4 m -44.22 -52.76 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' MET . 25.7 m-85 -41.77 -37.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' TYR . 91.2 m -36.3 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' TYR . 3.1 t -86.49 -39.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.9 ptm -52.19 -43.12 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -57.76 -51.84 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' HG21 ' A' ' 56' ' ' VAL . 16.1 mttm -60.09 -54.44 45.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -54.27 -45.94 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -48.08 -71.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -54.64 -49.5 70.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.19 -44.31 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -67.92 -33.96 75.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 26.9 mtm -79.16 -7.84 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.14 32.91 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.6 t -103.65 99.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 29.0 t-20 -34.93 113.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.41 170.68 8.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -133.28 105.24 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -98.95 136.28 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.4 t -130.91 99.99 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.939 ' HB3' HD23 ' A' ' 61' ' ' LEU . 1.8 mp0 -74.19 127.42 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 62' ' ' LEU . 12.2 mt -91.66 -45.63 8.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.84 -17.83 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.939 HD23 ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -98.38 -32.21 11.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.8 mt -62.3 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.28 -37.26 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -104.43 36.69 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.24 -47.35 55.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -52.74 -32.78 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.96 -70.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.76 -19.46 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.29 -45.97 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' OD2' ' CE ' ' A' ' 74' ' ' LYS . 31.4 t0 -66.68 -52.38 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -45.14 -60.2 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.8 mt -44.16 -53.19 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CD1' ' CG ' ' A' ' 79' ' ' ARG . 3.3 t80 -47.97 -53.84 14.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 17.0 mttm -58.76 -16.33 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.0 mtm -93.82 -35.79 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.417 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 30.0 p -94.15 -61.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.14 10.7 51.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -121.54 -42.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' CG ' ' CD1' ' A' ' 73' ' ' TYR . 10.5 mtm180 70.21 46.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.9 p -119.37 114.6 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.603 HG21 ' CD ' ' A' ' 34' ' ' LYS . 31.0 m -97.16 152.27 38.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.998 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.74 -179.61 19.61 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.297 -0.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.411 ' NH2' HG13 ' A' ' 81' ' ' VAL . 24.3 mtt180 -136.76 115.03 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.24 139.68 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.417 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.7 m-85 -134.54 118.27 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 HD12 ' A' ' 91' ' ' ILE . 93.4 t -108.08 124.25 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 49.88 32.06 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 73.98 41.66 39.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.8 m -149.87 133.38 16.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -77.82 87.81 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -68.36 -23.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.23 155.14 7.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.96 -173.1 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.998 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.71 -59.1 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.7 m -56.97 -52.37 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.87 -65.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 106' ' ' LEU . 83.2 m -40.0 -46.53 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -56.41 -46.41 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -62.8 -48.84 77.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 97' ' ' THR . 97.3 mt -43.49 -56.05 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 84.4 t60 -48.16 -47.64 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -65.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.88 -27.41 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.01 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -127.2 2.96 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.614 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.8 tt -102.29 -55.56 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.774 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.5 tm? -56.4 -42.97 98.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.3 Cg_exo -48.01 -30.3 13.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' HB2' HG11 ' A' ' 86' ' ' VAL . 7.5 mt -91.84 -30.79 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.408 HG23 HD23 ' A' ' 106' ' ' LEU . 70.3 t -60.91 -47.41 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.774 ' CE1' HD11 ' A' ' 107' ' ' LEU . 25.2 m170 -61.16 -40.9 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.99 -34.26 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.527 0.679 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 -41.03 4.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.35 -38.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -59.82 -41.9 92.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -58.13 -34.49 70.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' ILE . 38.6 mt -74.43 -44.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -56.42 -40.74 75.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.67 -38.19 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -63.76 -51.61 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' ' 88' ' ' GLY . 42.4 pt -57.62 -32.92 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -71.62 -56.58 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -57.38 -59.45 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -60.59 165.86 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.2 t -97.64 -31.87 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 28' ' ' CYS . 94.8 t -152.52 122.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG22 ' HZ1' ' A' ' 55' ' ' LYS . 79.7 t -122.67 126.89 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 47' ' ' PHE . 64.0 mt -119.91 107.02 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.49 104.46 17.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 24.2 p -118.89 153.87 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.856 ' HD2' HG21 ' A' ' 81' ' ' VAL . 5.3 ptmt -116.14 137.97 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.0 p -61.57 -32.89 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -31.3 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.52 164.07 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' CYS . 3.5 m -94.48 -44.0 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 83.6 m-85 -41.0 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 33' ' ' SER . 29.4 p -46.99 -39.35 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 42' ' ' MET . 7.3 t -74.9 -41.86 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.434 ' N ' HG23 ' A' ' 41' ' ' THR . 14.1 mmm -43.58 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.0 -44.19 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 15.4 mtpp -61.9 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.97 -43.56 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD2' HG22 ' A' ' 97' ' ' THR . 50.2 tp -54.46 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 31' ' ' ILE . 75.2 m-85 -62.97 -56.32 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 5.6 t-160 -43.14 -45.91 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.17 -35.11 78.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -76.34 -13.93 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 t30 69.43 29.42 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -96.85 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -38.99 109.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -122.72 172.17 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HZ1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -131.03 111.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.46 139.62 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.8 t -127.98 106.89 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HB2' HD12 ' A' ' 61' ' ' LEU . 16.5 mp0 -71.98 101.22 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 62' ' ' LEU . 94.9 mt -65.01 -48.61 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.89 -36.47 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 58' ' ' GLU . 81.2 mt -79.29 -42.69 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 59' ' ' LEU . 12.2 mt -47.07 117.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -44.32 -41.98 6.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -98.55 36.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.04 38.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -28.5 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -71.51 -71.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.46 -25.06 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -64.05 -43.21 96.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -68.38 -53.2 25.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 -48.76 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 34.5 mt -65.58 -37.77 87.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' GLY . 21.7 t80 -61.09 -29.56 69.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -80.04 -41.41 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.9 mtm -75.48 -23.62 56.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -103.25 -35.68 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 100.97 -29.21 13.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.02 171.03 10.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -112.42 46.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.9 p -89.16 152.71 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.856 HG21 ' HD2' ' A' ' 34' ' ' LYS . 23.6 m -153.86 153.61 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.76 -178.56 16.98 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.7 ' NH1' HG21 ' A' ' 76' ' ' THR . 1.2 mtp-105 -139.61 124.12 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.709 HD13 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -97.9 142.9 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.35 117.84 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.673 HG11 ' CB ' ' A' ' 109' ' ' LEU . 75.2 t -110.4 128.25 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 49.45 41.28 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.12 41.66 99.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -150.85 144.15 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.174 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -84.37 126.16 32.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.806 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -118.56 -29.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.01 168.15 29.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.25 -161.54 32.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.43 -49.7 43.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -68.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.97 -58.36 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.751 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.8 m -46.59 -41.67 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.671 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.7 t60 -62.44 -40.54 96.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -71.73 -42.21 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 97' ' ' THR . 60.1 mt -49.71 -51.59 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.416 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.0 t60 -50.06 -44.52 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.21 -53.2 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.75 -29.17 66.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.05 40.57 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -126.22 12.58 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.5 tt -108.94 -54.95 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.924 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.7 OUTLIER -52.97 -44.49 96.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.96 -27.22 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.673 ' CB ' HG11 ' A' ' 86' ' ' VAL . 5.5 mt -95.15 -28.43 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.447 HG23 HD23 ' A' ' 106' ' ' LEU . 58.1 t -67.65 -33.24 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.924 ' CE1' HD11 ' A' ' 107' ' ' LEU . 39.9 m170 -85.06 24.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -116.14 -61.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.649 0.738 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.7 -40.09 5.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 4.4 p -49.09 -40.94 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.433 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 73.9 m-20 -59.37 -43.35 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -56.74 -33.85 66.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 72' ' ' LEU . 38.4 mt -75.32 -51.78 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -43.65 -34.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.03 -41.01 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -61.16 -43.8 98.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.51 -33.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -72.09 -50.33 29.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.35 -54.97 21.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.1 -178.92 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.1 t -105.87 -48.66 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' SG ' ' A' ' 28' ' ' CYS . 53.0 t -132.8 113.84 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG11 ' CE2' ' A' ' 32' ' ' PHE . 96.0 t -110.94 117.3 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 47' ' ' PHE . 62.1 mt -105.64 99.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CE2' HG11 ' A' ' 30' ' ' VAL . 41.7 m-85 -90.54 104.26 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 9.7 p -128.44 173.93 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.806 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.2 ptmm? -123.8 -174.68 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 61' ' ' LEU . 40.0 p -115.75 48.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 4.8 m -127.8 -28.15 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.51 169.58 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -91.58 -30.76 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.439 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 76.4 m-85 -56.03 -14.54 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.04 -46.61 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -71.3 -27.65 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.3 mmm -57.47 -54.01 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -60.58 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -50.67 -52.74 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -58.09 -47.04 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.65 -64.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 31' ' ' ILE . 73.4 m-85 -57.68 -44.32 85.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -51.95 -47.78 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -63.11 -36.37 83.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.29 -15.79 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.77 32.46 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -103.54 106.23 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.4 m-20 -36.47 113.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -123.61 165.88 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -131.47 105.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -97.38 144.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 88.5 t -137.89 106.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -76.32 104.91 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 62' ' ' LEU . 28.3 mt -70.69 -33.14 70.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.9 -45.36 94.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 35' ' ' THR . 3.3 mp -68.31 -32.77 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 59' ' ' LEU . 19.5 mt -62.19 154.29 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.16 -53.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -88.47 28.37 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.2 -48.23 47.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -52.68 -20.42 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -80.41 -70.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.506 ' HD1' HD11 ' A' ' 20' ' ' ILE . 10.8 m-85 -55.76 -24.2 33.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.572 ' HG2' HD13 ' A' ' 59' ' ' LEU . 25.7 mt-30 -66.22 -38.98 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE3' ' A' ' 74' ' ' LYS . 17.6 t0 -69.86 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.87 -48.49 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 20' ' ' ILE . 26.4 mt -62.16 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.6 t80 -53.2 -29.47 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -77.43 -49.23 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HD23 ' A' ' 72' ' ' LEU . 29.8 mtm -51.3 -20.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.526 HG23 HH21 ' A' ' 83' ' ' ARG . 8.4 p -112.16 -60.26 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' N ' ' OG1' ' A' ' 76' ' ' THR . . . 122.76 8.38 6.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 80' ' ' THR . 4.2 tt0 -156.21 160.54 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.62 52.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.453 HG23 ' HG2' ' A' ' 78' ' ' GLU . 52.4 p -100.6 140.69 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.806 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -135.55 159.68 70.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.154 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.526 HH21 HG23 ' A' ' 76' ' ' THR . 10.4 mtp-105 -127.29 112.94 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.38 132.03 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.46 118.17 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.59 108.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.05 30.83 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.67 35.18 29.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.9 m -137.49 138.71 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -87.43 73.78 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.57 -9.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.86 -173.76 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.59 -160.8 28.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -58.37 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -54.46 -65.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.9 -61.43 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.0 m -47.22 -40.62 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.74 -41.74 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -65.55 -41.15 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 97' ' ' THR . 77.1 mt -50.07 -59.32 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -45.93 -42.92 13.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -62.02 -61.17 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.79 -22.22 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.58 46.0 3.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -127.51 10.27 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.9 tt -110.37 -52.06 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.932 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.83 -43.33 97.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.3 Cg_exo -47.93 -20.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.98 -49.48 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -43.54 -37.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.932 ' CE1' HD11 ' A' ' 107' ' ' LEU . 30.5 m170 -86.16 39.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -132.78 -33.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.603 0.716 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.8 -45.43 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 3.3 p -49.65 -43.0 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.6 m-80 -61.63 -39.79 92.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -61.19 -23.15 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 72' ' ' LEU . 24.7 mt -90.51 -37.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.85 -32.28 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.0 -37.56 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 1.001 HG22 HG21 ' A' ' 30' ' ' VAL . 99.3 m -64.02 -51.27 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA2' ' A' ' 88' ' ' GLY . 49.3 pt -59.71 -23.39 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.5 t -78.31 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.07 -55.92 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -72.85 142.81 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.11 -56.24 9.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -124.85 131.84 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.001 HG21 HG22 ' A' ' 23' ' ' THR . 72.9 t -127.45 110.51 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -96.54 137.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.622 ' CE2' HG12 ' A' ' 30' ' ' VAL . 62.7 m-85 -127.21 111.59 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 1.8 t -121.16 172.56 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -126.24 12.05 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p 49.27 34.56 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -115.86 -41.87 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.18 164.18 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -80.99 -30.94 34.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -49.26 -32.42 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.6 p -56.78 -35.73 69.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -73.21 -20.8 60.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mmm -76.65 -56.32 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.28 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -50.57 -62.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.0 mptt -49.09 -53.06 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 97' ' ' THR . 16.9 tp -39.97 -67.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -59.33 -42.79 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -48.02 -54.21 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.66 -29.65 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.6 mtp -78.07 -7.0 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 m120 56.51 34.9 25.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.4 t -104.01 101.32 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.5 m120 -38.35 109.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -117.15 172.04 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -131.77 105.69 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.45 143.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 20.6 t -135.93 119.9 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' HD22 ' A' ' 61' ' ' LEU . 3.9 mp0 -90.53 104.99 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.8 mt -68.02 -46.23 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -51.03 -44.61 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -70.53 -40.36 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.5 mt -49.6 160.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.78 -44.67 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -98.73 30.89 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.7 -54.75 10.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -45.1 -26.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -78.02 -70.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.37 -14.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -74.27 -45.54 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -75.08 -46.09 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.12 -47.42 23.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 76' ' ' THR . 29.7 mt -63.19 -50.41 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -44.43 -31.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -74.8 -45.48 43.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 mtm -75.58 -14.16 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.3 p -107.02 -25.03 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 70.91 21.87 78.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.96 -178.22 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -128.67 40.92 3.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -97.91 112.33 24.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.504 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -108.54 158.82 32.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 179.86 21.16 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.363 -0.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.421 ' NH1' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -121.36 112.1 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -103.88 130.86 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' HZ ' HG22 ' A' ' 76' ' ' THR . 32.0 m-85 -125.83 119.7 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.631 HG23 HD12 ' A' ' 91' ' ' ILE . 61.9 t -109.07 106.82 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 67.61 32.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 75.81 33.26 51.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -139.69 146.15 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -89.15 85.78 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.631 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.27 -19.5 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.88 176.83 18.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.37 -151.4 24.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.79 -65.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -50.46 -70.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -38.54 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 106' ' ' LEU . 24.1 m -41.88 -46.45 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.1 -39.42 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -66.37 -33.71 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 97' ' ' THR . 89.7 mt -56.5 -58.84 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.526 ' HB2' HD13 ' A' ' 106' ' ' LEU . 3.9 t60 -43.06 -46.98 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -59.55 -46.22 89.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.4 -18.06 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.69 49.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.526 ' CD ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -109.67 30.35 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 97' ' ' THR . 5.4 tt -122.61 -42.15 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.896 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -69.73 -43.93 22.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.95 -18.25 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CB ' HG11 ' A' ' 86' ' ' VAL . 12.4 mt -95.6 -44.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.08 -29.53 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.896 ' CE1' HD11 ' A' ' 107' ' ' LEU . 34.5 m170 -89.69 22.38 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -124.49 -29.53 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -141.68 128.46 20.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -114.84 162.02 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.05 166.56 14.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.8 p 38.78 42.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.912 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -124.17 164.34 19.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.1 38.01 4.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -168.28 116.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.59 141.55 50.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.816 ' OE1' HD12 ' A' ' 12' ' ' LEU . 2.5 pp20? -49.45 146.25 4.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -93.65 129.7 39.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.816 HD12 ' OE1' ' A' ' 10' ' ' GLU . 7.1 mt -153.18 158.79 42.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.58 21.76 16.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 14' ' ' THR . 11.5 m -123.42 46.65 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.699 ' N ' HD21 ' A' ' 18' ' ' ASN . . . -48.04 152.51 1.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.79 37.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' HB1' ' A' ' 71' ' ' ALA . 2.7 p -70.15 -46.43 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.699 HD21 ' N ' ' A' ' 15' ' ' ALA . 4.2 p30 -61.17 -38.83 87.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.63 -31.97 68.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.553 HD11 ' HD1' ' A' ' 68' ' ' PHE . 27.6 mt -76.53 -47.07 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.58 -39.3 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.22 -36.97 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -62.64 -47.55 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.994 HD12 ' HA2' ' A' ' 88' ' ' GLY . 25.4 pt -68.87 -28.97 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -69.96 -48.3 58.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -72.67 -57.3 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -61.77 179.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -108.97 -39.37 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -147.93 119.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 95.8 t -120.76 129.0 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.437 HD11 ' CE2' ' A' ' 47' ' ' PHE . 97.1 mt -113.34 99.62 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 64.2 m-85 -88.36 104.51 16.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 6.7 p -138.57 170.58 15.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' CG ' HG21 ' A' ' 81' ' ' VAL . 9.2 ptpt -118.19 -174.5 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -111.65 41.6 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.5 p -125.25 -6.33 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.76 165.17 15.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.3 p -91.4 -43.89 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.438 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 53.7 m-85 -48.45 -22.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 19.8 p -49.51 -37.44 26.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -77.07 -38.2 53.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.1 mmm -47.35 -57.68 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.24 -51.87 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HE2' HG21 ' A' ' 56' ' ' VAL . 9.5 mttm -56.85 -48.18 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.73 -38.26 84.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.32 -58.04 10.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 31' ' ' ILE . 74.4 m-85 -65.98 -51.72 55.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -45.34 -47.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -66.25 -32.54 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.6 mtp -77.8 -8.69 58.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 62.56 32.28 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.2 t -104.27 105.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -39.63 112.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -117.89 166.22 12.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -134.58 105.74 6.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG21 ' HE2' ' A' ' 44' ' ' LYS . 1.0 OUTLIER -98.58 154.15 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -142.11 119.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -86.05 111.48 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.6 mt -78.63 -39.07 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -48.19 -45.23 33.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -75.96 -34.32 59.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 59' ' ' LEU . 36.0 mt -60.11 129.11 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -54.74 -45.2 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.75 38.61 1.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.43 -49.85 42.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -51.12 -20.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -79.85 -71.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.553 ' HD1' HD11 ' A' ' 20' ' ' ILE . 87.2 m-85 -54.87 -15.65 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -69.41 -43.76 72.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.44 -54.86 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -39.44 -45.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.6 mt -67.3 -48.68 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -47.65 -26.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -84.24 -34.19 23.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 20.1 mtm -77.24 -18.1 57.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 p -112.31 -36.14 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 -6.25 63.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -130.91 176.62 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -130.2 49.95 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.05 155.26 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.492 HG21 ' CG ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -136.8 159.21 71.14 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 111.101 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 -179.19 18.49 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.317 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -131.82 113.07 13.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.15 129.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -122.4 118.46 28.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.55 121.95 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.09 40.45 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.994 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 59.44 26.12 61.51 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.3 m -134.73 124.2 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -69.51 75.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -51.42 -20.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.65 -170.88 26.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -98.93 -159.11 29.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.64 -58.06 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.078 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.39 -58.52 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.747 ' HA ' HD12 ' A' ' 100' ' ' LEU . 87.5 m -49.25 -39.73 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -64.52 -44.05 92.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -62.6 -45.08 94.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 97' ' ' THR . 29.8 mt -49.12 -61.24 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -41.59 -41.12 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -63.77 -49.9 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.58 -5.31 52.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 73.06 29.94 63.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -103.01 13.3 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 97' ' ' THR . 6.3 tt -118.62 -39.39 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.724 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -62.76 -43.77 84.16 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.1 Cg_exo -48.01 -26.73 7.97 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -94.67 -41.29 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.581 HG23 HD23 ' A' ' 106' ' ' LEU . 97.7 t -53.35 -29.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.724 ' CE1' HD11 ' A' ' 107' ' ' LEU . 48.1 m170 -95.38 27.44 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.97 -45.28 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.21 -49.75 16.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 1.0 OUTLIER -77.67 -37.26 50.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.31 148.99 43.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt 68.37 46.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' SER . 1.7 mmmp? -122.55 -50.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 117' ' ' LYS . 1.8 t -36.64 141.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -50.95 126.83 17.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -154.63 164.67 38.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 83.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -152.34 137.02 16.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 123' ' ' PHE . 51.0 p90 -88.79 124.99 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -120.89 143.88 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.6 p -66.88 116.77 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -139.22 146.73 18.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.98 64.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.685 2.256 . . . . 0.0 112.393 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.4 t -169.74 138.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -127.2 -60.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 67.67 42.11 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -118.41 153.85 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.83 46.92 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -121.35 147.54 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.919 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -118.32 121.1 39.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.34 114.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.1 p -108.44 81.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.962 0.411 . . . . 0.0 110.826 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.7 mm? -109.51 137.05 47.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -76.25 96.69 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -119.13 165.48 14.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.19 79.66 1.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.25 21.89 16.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m 39.51 51.64 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -57.45 163.64 3.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 111.068 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.78 -45.79 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 2.7 p -48.21 -39.56 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 92.4 m-20 -60.18 -47.09 87.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -57.57 -23.4 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.5 mt -85.78 -41.41 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.12 -36.18 74.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' THR . 9.9 pt-20 -70.93 -32.74 69.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 58.7 m -72.24 -46.66 55.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.745 HD12 ' HA2' ' A' ' 88' ' ' GLY . 39.8 pt -68.73 -34.28 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -70.07 -42.74 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -75.67 -43.86 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.22 160.62 18.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.33 -53.57 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.6 t -127.52 140.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 96.2 t -134.1 123.23 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 56' ' ' VAL . 87.4 mt -112.13 109.5 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 86.5 m-85 -98.7 112.63 24.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -120.25 162.55 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' THR . 5.5 ptmm? -122.78 31.18 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.0 p 33.69 49.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.1 t -133.74 -44.45 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.7 m -90.14 165.77 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 p -89.28 -35.27 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -53.83 -18.66 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' C ' ' HZ2' ' A' ' 44' ' ' LYS . 31.2 p -52.07 -40.86 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.1 t -73.92 -43.36 58.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' THR . 36.5 mtp -43.05 -49.98 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.58 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.58 ' HE3' HG21 ' A' ' 56' ' ' VAL . 32.9 mttp -51.61 -54.79 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.73 -44.34 81.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -51.25 -63.53 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.32 -45.09 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -47.35 -50.46 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.85 -27.65 69.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.2 mtp -80.83 -12.12 59.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 65.83 38.03 5.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.7 t -110.38 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 68.8 m-80 -34.42 116.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -118.63 172.18 7.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -136.66 105.81 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.58 HG21 ' HE3' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -92.13 145.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 42.2 t -139.83 109.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -77.93 115.07 17.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.788 HD23 HD12 ' A' ' 62' ' ' LEU . 83.2 mt -81.93 -53.15 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -37.58 -38.09 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -81.49 -36.41 29.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.788 HD12 HD23 ' A' ' 59' ' ' LEU . 17.2 mt -53.98 126.64 23.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -50.89 -43.52 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -98.68 40.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.32 -53.8 36.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -49.09 -23.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -78.16 -70.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -54.07 -15.71 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.66 -47.34 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -64.88 -51.35 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -44.22 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' MET . 30.4 mt -62.52 -54.16 44.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD2' ' HB2' ' A' ' 79' ' ' ARG . 5.2 t80 -41.27 -34.0 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -79.02 -36.81 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' LEU . 14.9 mtm -83.78 -11.17 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.501 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 32.9 p -111.2 -28.53 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 48.56 29.92 8.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' ' CG2' ' A' ' 80' ' ' THR . 3.1 tp10 -122.56 -43.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 12.7 ttp85 69.89 47.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.447 ' CG2' ' CG ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -152.49 167.47 28.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.08 -179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.503 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -137.34 159.29 70.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.591 0.71 . . . . 0.0 111.124 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 175.91 34.67 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -120.85 116.33 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.17 139.56 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.501 ' CZ ' HG22 ' A' ' 76' ' ' THR . 36.5 m-85 -133.68 119.14 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.0 t -114.71 122.45 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 54.88 37.17 28.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.745 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.85 41.93 93.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.4 m -149.7 137.98 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.444 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 64.6 t80 -82.49 92.09 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.659 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -76.9 -19.67 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.22 -159.85 28.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -119.37 -161.64 11.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.1 -62.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -55.17 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.36 -63.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.755 ' HA ' HD12 ' A' ' 100' ' ' LEU . 90.9 m -44.86 -41.96 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -70.51 -47.4 60.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 97' ' ' THR . 36.5 mt -44.04 -50.46 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -57.46 -37.04 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.86 -60.22 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' CB ' ' HE2' ' A' ' 105' ' ' LYS . 4.5 mm-40 -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 96.63 19.16 28.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.426 ' HE2' ' CB ' ' A' ' 103' ' ' GLU . 9.9 mtmt -92.86 9.94 33.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 97' ' ' THR . 5.0 tt -112.41 -42.8 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.692 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.94 -29.34 11.66 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.8 mt -88.68 -46.68 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.4 t -44.96 -41.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.692 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 31.4 m170 -64.86 -48.27 74.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -55.02 -35.14 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 40.8 t -59.47 -54.07 50.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.558 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 3.8 p90 -111.93 34.3 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' HIS . 0.2 OUTLIER -60.57 118.71 6.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -53.99 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -57.75 122.23 12.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.1 t -137.12 135.4 37.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -94.12 142.45 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -134.64 177.9 7.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -168.71 126.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.42 142.74 49.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -68.21 149.65 49.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.444 ' C ' ' CD ' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -92.91 119.51 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.1 p -105.28 114.36 28.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.69 169.65 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.08 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.4 p -92.71 169.19 10.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.7 t -113.63 83.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -133.03 -59.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -63.65 121.35 13.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.94 -120.54 5.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t 61.89 42.35 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 t -88.95 82.82 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.21 -157.12 10.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m -64.71 165.78 9.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 pp -143.33 150.61 39.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.89 -45.65 8.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -125.12 167.07 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.6 131.62 46.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.78 21.89 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 14' ' ' THR . 17.8 m 39.85 37.64 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.737 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -42.84 165.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.78 -47.98 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 9.8 p -46.21 -44.34 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.497 ' N ' HG13 ' A' ' 17' ' ' VAL . 35.8 m-20 -54.86 -48.38 73.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -52.88 -38.8 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 68' ' ' PHE . 41.0 mt -69.58 -53.22 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -41.6 -35.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.17 -40.19 53.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ILE . 87.0 m -63.06 -40.64 98.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.719 HD12 ' HA2' ' A' ' 88' ' ' GLY . 37.8 pt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -75.92 -44.94 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -71.52 -54.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.89 152.66 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 m -78.52 -33.83 47.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -155.55 124.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -116.75 130.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -114.74 100.22 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 48.5 m-85 -88.57 106.69 18.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.4 m -115.34 170.82 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.8 ptmm? -134.16 29.05 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.541 HG21 HD21 ' A' ' 61' ' ' LEU . 18.9 p 34.75 47.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -123.19 -43.4 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.22 166.9 12.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 41' ' ' THR . 36.2 m -88.0 -23.08 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.605 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 9.8 m-85 -68.77 -17.48 64.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 19.2 p -58.67 -23.5 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' SER . 1.5 t -95.01 -35.34 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.605 ' SD ' ' CD2' ' A' ' 39' ' ' TYR . 13.6 ptm -68.14 -30.76 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.94 77.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.3 mppt? -64.34 -50.78 66.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -49.92 -46.53 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -48.95 -59.32 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -64.13 -37.85 88.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -52.65 -56.16 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.17 -28.82 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.411 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 36.0 mtp -78.06 -7.19 56.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 60.47 27.29 16.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.6 t -97.45 94.71 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 49.9 t30 -35.17 114.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -117.82 171.9 7.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.98 105.93 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.29 135.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 39.5 t -132.56 99.9 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' CB ' HD23 ' A' ' 61' ' ' LEU . 38.1 mm-40 -78.13 115.06 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.585 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.0 mt -79.69 -40.68 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 8.8 t70 -48.13 -39.78 21.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -82.56 -24.17 34.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 59' ' ' LEU . 21.4 mt -67.11 154.94 40.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.68 -38.49 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -102.25 39.27 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.3 -59.64 7.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.19 -24.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.54 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -74.44 -72.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 20' ' ' ILE . 17.4 m-85 -55.84 -25.9 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.78 -40.76 89.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 74' ' ' LYS . 37.8 t0 -74.49 -56.74 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 17' ' ' VAL . . . -47.45 -32.91 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 mt -73.68 -41.92 62.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -52.68 -27.52 17.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -76.88 -53.35 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.1 mtm -55.54 -39.12 70.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.0 p -89.79 -49.35 6.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.13 14.41 24.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -161.31 166.14 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -110.62 50.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 p -102.68 156.0 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.595 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -146.81 158.46 45.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 111.115 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.75 177.02 30.28 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.365 -0.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -125.43 112.05 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.55 132.18 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -127.33 120.57 28.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.473 HG23 HD12 ' A' ' 91' ' ' ILE . 73.2 t -108.34 129.05 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.74 35.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.719 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.75 47.34 48.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.4 m -155.15 126.02 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.779 0.323 . . . . 0.0 111.123 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -71.65 107.95 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -97.37 -16.46 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.0 174.96 18.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.09 -162.71 37.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.529 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -54.81 -35.07 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -75.89 -69.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -43.22 -55.29 4.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.48 ' HA ' HD12 ' A' ' 100' ' ' LEU . 54.9 m -51.0 -41.38 59.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.531 ' CE1' ' HE3' ' A' ' 102' ' ' LYS . 2.4 t60 -62.07 -40.23 95.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -67.58 -53.19 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 97' ' ' THR . 65.5 mt -39.11 -57.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.411 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 17.6 t60 -46.4 -41.65 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HE3' ' CE1' ' A' ' 98' ' ' HIS . 28.1 mttt -67.83 -38.59 83.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -87.52 6.16 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' ' CG ' ' A' ' 108' ' ' PRO . . . 64.58 25.07 69.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -97.6 0.83 48.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.583 HD23 HG23 ' A' ' 110' ' ' VAL . 6.2 tt -107.06 -39.08 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -59.97 -43.84 95.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.92 -23.56 4.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.627 2.218 . . . . 0.0 112.403 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -98.69 -44.04 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.583 HG23 HD23 ' A' ' 106' ' ' LEU . 94.6 t -46.61 -39.23 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.695 ' CE1' HD11 ' A' ' 107' ' ' LEU . 41.7 m170 -74.86 -59.58 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' HIS . 7.3 mm100 -34.4 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' HIS . 15.3 t -63.93 -62.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 2.6 p90 -99.37 21.25 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 111' ' ' HIS . 12.7 tp -67.22 162.03 23.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -37.64 155.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.4 tttp 71.08 43.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' LYS . 26.1 p -127.75 171.85 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' SER . 27.4 mmtt -36.93 148.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.434 ' NE ' ' N ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -55.79 158.26 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -173.93 130.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -101.77 79.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.11 179.73 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 125' ' ' SER . 32.6 mt-30 -98.55 -50.94 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 124' ' ' GLN . 5.3 t 34.71 41.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.0 83.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -176.18 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.2 t -44.66 124.99 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 25.3 m -105.15 177.24 4.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -56.46 132.3 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -74.74 146.56 42.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.5 80.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -153.81 128.27 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -160.53 171.19 19.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.88 166.58 14.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -134.52 120.7 20.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.399 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.01 141.65 37.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.3 -22.69 30.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.08 167.25 24.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mp -85.88 98.12 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.11 21.62 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.06 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 m 42.13 49.49 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.37 150.27 17.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' HB2' ' A' ' 71' ' ' ALA . 53.6 Cg_endo -69.75 -49.31 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.66 -34.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.04 -48.61 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.5 -23.41 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HD1' ' A' ' 68' ' ' PHE . 57.0 mt -85.55 -48.46 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -46.65 -33.45 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -72.89 -41.39 64.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -61.95 -40.56 95.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.4 pt -77.31 -16.32 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 t -78.77 -53.6 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.56 -39.18 91.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -89.2 -177.9 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.55 -36.58 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.3 t -131.93 122.35 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 32' ' ' PHE . 84.7 t -123.74 110.17 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.8 mt -99.62 107.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CE2' HG11 ' A' ' 30' ' ' VAL . 38.2 m-85 -97.85 109.07 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.7 p -118.64 167.87 11.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.769 ' HD3' HG21 ' A' ' 81' ' ' VAL . 9.9 pttt -135.03 37.26 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.903 ' CG2' HD21 ' A' ' 61' ' ' LEU . 45.4 p 30.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 t -128.31 -40.13 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.33 128.92 44.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.5 m -51.38 -40.88 60.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -46.66 -21.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -46.67 -47.03 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 t -71.64 -35.93 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -53.22 -42.07 65.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.58 -59.25 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -48.52 -44.19 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -70.83 -46.24 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.4 tp -42.92 -60.01 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -63.88 -44.42 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -47.37 -51.53 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -63.65 -36.67 84.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 mtp -75.6 -7.01 53.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 58.73 35.67 24.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.8 t -104.69 101.69 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.4 t-20 -35.26 112.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.48 170.45 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -135.84 105.8 6.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -96.07 130.33 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 47.3 t -126.06 99.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.877 ' HB3' HD23 ' A' ' 61' ' ' LEU . 60.9 mt-10 -68.99 127.59 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 68' ' ' PHE . 46.4 mt -95.2 -46.44 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -21.05 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.903 HD21 ' CG2' ' A' ' 35' ' ' THR . 2.8 mm? -91.66 -35.87 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.15 164.39 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.43 -29.97 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -109.89 33.56 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.62 -46.92 93.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -49.66 -25.78 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -79.27 -72.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HD1' HD11 ' A' ' 20' ' ' ILE . 15.9 m-85 -50.98 -18.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -71.06 -36.87 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.04 -45.59 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -57.39 -34.34 68.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -76.84 -49.25 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' GLY . 16.4 t80 -47.31 -27.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -77.31 -50.34 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 mtm -60.53 -24.46 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.408 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 11.7 p -104.49 -27.44 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 86.27 -16.93 41.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.474 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -132.02 157.06 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.333 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD ' ' A' ' 79' ' ' ARG . 2.3 ppt_? -100.91 39.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.7 p -94.08 120.7 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.769 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -114.2 159.08 37.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.73 -178.51 16.84 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.365 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -128.28 112.97 15.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.35 133.51 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HZ ' HG22 ' A' ' 76' ' ' THR . 41.8 m-85 -128.62 120.14 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 HD12 ' A' ' 91' ' ' ILE . 55.1 t -103.67 120.19 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 50.96 36.51 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 72.13 42.97 49.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.99 141.05 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -84.4 105.35 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.784 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -94.53 -17.76 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.19 161.97 9.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.04 -169.03 30.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -41.7 -66.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -44.56 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -44.37 -64.59 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.431 ' HA ' HD12 ' A' ' 100' ' ' LEU . 14.7 m -40.65 -43.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -63.81 -45.32 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.67 -44.29 90.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 97' ' ' THR . 95.3 mt -47.7 -50.93 23.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -57.34 -41.17 79.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.93 -62.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -61.86 -31.34 71.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.8 51.94 0.99 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -130.09 10.15 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.1 tt -109.11 -49.59 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -58.19 -43.84 98.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.6 Cg_exo -48.0 -21.37 2.69 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.28 -44.02 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.8 t -46.38 -41.01 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.786 ' CE1' HD11 ' A' ' 107' ' ' LEU . 60.4 m170 -73.71 -40.9 63.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -48.59 -21.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 37.7 t -68.28 -56.28 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.806 ' CE1' HD22 ' A' ' 115' ' ' LEU . 1.5 p90 -70.13 -30.15 67.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.806 HD22 ' CE1' ' A' ' 114' ' ' TYR . 0.5 OUTLIER -40.08 123.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 117' ' ' LYS . 6.7 ptmm? 41.14 48.78 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 116' ' ' LYS . 34.3 mttt -34.68 138.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.0 t -91.32 34.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -161.75 163.41 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -113.32 89.18 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -101.44 148.45 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -77.76 154.65 31.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -100.91 96.89 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -56.02 141.7 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.4 p -130.91 96.95 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -121.53 -76.14 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 93.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 m -87.66 168.44 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.2 p -53.24 -57.61 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.523 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -144.18 167.48 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.5 m -74.84 128.17 34.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.13 47.21 5.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -161.81 164.36 28.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 p -44.98 150.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.79 -104.71 0.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -163.16 129.1 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . 13.9 mt -149.82 161.91 41.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' LEU . 13.9 pt-20 -34.93 -42.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 12.0 p30 -58.96 153.24 17.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -82.17 -4.77 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' THR . . . 51.56 24.97 2.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' ALA . 7.2 m 34.29 45.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.708 ' N ' HD21 ' A' ' 18' ' ' ASN . . . -46.24 152.1 0.86 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 111.063 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -15.97 37.29 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.5 p -71.35 -49.94 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.708 HD21 ' N ' ' A' ' 15' ' ' ALA . 4.1 p30 -54.72 -44.6 73.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -51.97 -34.18 41.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mt -80.39 -43.16 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 41.3 mt-30 -49.95 -39.19 39.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -41.99 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -62.18 -44.83 95.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 25' ' ' SER . 32.1 pt -60.94 -36.12 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 m -72.24 -54.28 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -58.0 -66.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -61.09 153.96 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -73.58 -56.05 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -133.74 125.97 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.73 125.89 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' HB ' HG23 ' A' ' 56' ' ' VAL . 26.7 mt -115.32 115.7 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -101.49 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -120.61 149.56 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.879 ' HG2' HG21 ' A' ' 81' ' ' VAL . 12.5 pttt -116.33 33.69 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 57.2 p 33.61 46.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.199 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -127.67 -45.63 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' HB2' HG23 ' A' ' 81' ' ' VAL . 3.3 t -90.14 137.57 32.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -58.43 -39.89 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 40.6 m-85 -46.7 -22.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 41' ' ' THR . 10.3 p -48.7 -44.53 38.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.455 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 3.5 t -72.65 -31.05 64.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtp -63.33 -41.32 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -57.27 7.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HE2' HG21 ' A' ' 56' ' ' VAL . 56.2 mttt -57.5 -53.55 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -54.22 -43.03 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.2 tp -52.69 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -49.66 -46.23 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -49.16 -40.05 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.21 -35.8 58.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.58 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 13.4 mtm -74.02 -7.01 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.1 m120 59.87 33.99 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASN . 71.5 t -103.25 97.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -34.24 110.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -118.91 172.14 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -136.24 105.92 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.539 HG23 ' HB ' ' A' ' 31' ' ' ILE . 1.2 p -98.26 145.64 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.5 t -133.24 111.76 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -78.99 108.69 12.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.606 HD23 HD12 ' A' ' 62' ' ' LEU . 38.0 mt -76.29 -49.71 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -45.41 -33.08 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.5 mt -87.48 -26.15 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD12 HD23 ' A' ' 59' ' ' LEU . 13.8 mt -64.05 120.46 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.24 -35.55 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -105.49 36.28 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.14 -44.12 98.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.19 -21.23 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.9 -67.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -62.77 -44.47 96.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.13 -47.73 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.63 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 30.5 mt -62.38 -57.2 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -40.04 -27.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.5 mtpt -78.92 -48.11 15.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.6 mtm -70.92 -19.41 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.699 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 18.1 p -104.0 -31.48 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.64 -30.19 7.66 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -130.78 152.21 50.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -89.13 50.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.5 p -95.74 140.95 29.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.879 HG21 ' HG2' ' A' ' 34' ' ' LYS . 3.2 m -137.51 154.42 75.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.716 . . . . 0.0 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.74 177.35 29.12 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.372 -0.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -127.59 114.73 17.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' CG2' HD11 ' A' ' 91' ' ' ILE . 5.3 mp -100.06 143.35 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.699 ' HZ ' HG22 ' A' ' 76' ' ' THR . 25.1 m-85 -141.83 119.21 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.23 113.35 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 62.79 26.53 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.21 43.44 10.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.3 m -150.51 130.74 13.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -75.74 90.52 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -74.72 -17.67 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.73 166.03 11.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.85 -161.06 8.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -54.93 -63.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -47.39 -66.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -46.43 -58.56 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.684 HG23 HD11 ' A' ' 106' ' ' LEU . 3.5 m -46.54 -43.23 16.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -63.76 -39.65 94.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -68.21 -45.21 73.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 97' ' ' THR . 67.1 mt -46.72 -52.42 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.58 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 78.5 t60 -47.75 -43.96 27.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.25 -52.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 38.5 mt-10 -62.93 -11.57 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.23 27.5 59.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 10.0 mttp -111.43 18.53 19.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 97' ' ' THR . 4.7 tt -121.96 -44.1 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.3 -43.81 91.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.96 -23.94 4.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.65 -44.53 6.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.474 HG23 HD23 ' A' ' 106' ' ' LEU . 72.2 t -45.51 -31.5 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.749 ' CE1' HD11 ' A' ' 107' ' ' LEU . 46.4 m170 -81.3 -52.52 7.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -51.71 -29.55 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -34.04 71.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -135.04 34.38 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 116' ' ' LYS . 1.5 tt -91.46 159.41 15.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.721 ' N ' HD23 ' A' ' 115' ' ' LEU . 0.0 OUTLIER 71.69 44.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' SER . 19.4 mmtm -132.51 -179.19 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 117' ' ' LYS . 93.0 p -34.69 -35.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 117' ' ' LYS . 7.4 tmtm? -100.6 114.42 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -137.73 118.79 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -72.43 179.08 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -98.67 117.8 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -170.4 156.81 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -118.84 169.44 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.3 p -163.91 177.98 8.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.92 92.82 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 169.36 19.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 t -112.4 174.8 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -151.39 165.47 33.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -156.75 144.0 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -133.77 163.19 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.39 165.9 2.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -156.04 147.32 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 m -94.26 91.41 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.74 -164.92 12.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -145.49 148.39 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.27 162.54 35.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.61 142.12 35.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -171.28 173.12 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tp -93.95 125.49 38.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.0 105.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 14' ' ' THR . 16.8 m -95.53 40.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -51.86 164.26 0.57 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.722 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -45.38 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.8 p -48.36 -45.15 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' N ' HG13 ' A' ' 17' ' ' VAL . 60.5 m-20 -52.09 -48.67 64.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -54.38 -35.66 63.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -75.8 -43.47 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -58.48 -40.85 83.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.0 pt-20 -71.46 -40.92 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 HG21 ' A' ' 30' ' ' VAL . 58.6 m -57.13 -51.04 70.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.88 HD12 ' HA2' ' A' ' 88' ' ' GLY . 45.1 pt -59.19 -38.43 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 24' ' ' ILE . 55.0 m -68.83 -47.45 65.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.76 -62.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.49 173.81 6.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 m -93.51 -50.34 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 64.3 t -133.53 126.94 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.664 HG21 HG22 ' A' ' 23' ' ' THR . 58.7 t -123.99 111.68 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.596 HD11 ' CD2' ' A' ' 47' ' ' PHE . 20.7 mt -98.06 127.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 72' ' ' LEU . 70.5 m-85 -110.15 115.4 29.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 p -129.14 151.83 49.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HG2' HG21 ' A' ' 81' ' ' VAL . 22.0 pttt -118.16 34.21 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LYS . 41.5 p 33.63 46.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.7 m -128.92 -45.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 3.9 t -94.21 129.62 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' TYR . 13.3 t -41.39 -52.93 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 47.6 m-85 -35.49 -37.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' TYR . 28.6 p -34.09 -44.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 42' ' ' MET . 12.6 t -76.41 -44.85 34.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 41' ' ' THR . 14.5 mtp -41.32 -49.64 3.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.41 -57.31 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 56' ' ' VAL . 29.6 mttm -52.33 -55.03 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -56.89 -46.11 82.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.7 tp -49.03 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 73.2 m-85 -62.15 -47.9 82.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.16 -51.48 18.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.28 -35.44 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 mtp -77.68 -12.19 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 62.07 33.74 16.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' ASN . 97.0 t -102.39 101.43 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -34.83 109.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -117.19 172.08 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -134.4 105.62 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG11 ' NZ ' ' A' ' 44' ' ' LYS . 1.2 p -99.3 142.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -129.05 113.61 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -81.43 101.32 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 72' ' ' LEU . 79.8 mt -69.77 -51.34 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -46.09 -47.49 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.41 -40.63 70.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.9 131.26 26.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.14 -36.18 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -103.14 40.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.17 -50.92 61.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -48.33 -35.37 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.82 -71.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.39 -23.38 37.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -62.44 -46.74 87.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.3 -53.76 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -40.88 -52.48 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' THR . 31.3 mt -56.96 -45.47 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -54.21 -31.14 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -80.13 -50.36 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.924 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.9 mtm -68.2 -20.02 64.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.706 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 29.3 p -102.3 -38.56 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.24 -31.48 8.29 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 174.98 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -106.48 45.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.718 ' O ' HG13 ' A' ' 81' ' ' VAL . 66.8 p -95.71 165.29 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 80' ' ' THR . 2.5 m -164.97 155.41 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 111.112 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.81 -178.6 17.16 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.334 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.648 ' NH2' ' CZ ' ' A' ' 90' ' ' PHE . 24.2 mmm180 -137.87 117.59 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.91 139.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.706 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.8 m-85 -134.76 118.02 16.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 29' ' ' VAL . 98.0 t -108.57 133.78 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 44.7 47.75 8.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.88 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.52 33.85 83.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -143.36 143.34 31.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.145 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 77.8 t80 -91.04 87.67 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.558 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -62.57 -23.35 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.518 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . 144.18 165.88 11.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.31 -172.94 4.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.45 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.19 -58.62 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.3 m -51.73 -58.68 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -64.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 106' ' ' LEU . 29.1 m -42.42 -41.63 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.09 -48.22 82.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -59.17 -50.0 75.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 97' ' ' THR . 86.4 mt -42.88 -56.14 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -46.37 -50.95 15.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.22 -62.73 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.31 -22.56 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.44 49.6 2.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -122.5 -6.01 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.565 ' O ' HD23 ' A' ' 106' ' ' LEU . 4.1 tt -97.55 -53.63 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.8 OUTLIER -54.69 -44.04 98.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.9 Cg_exo -47.96 -32.59 18.29 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.09 -34.66 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.79 -60.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.603 ' CE1' HD11 ' A' ' 107' ' ' LEU . 29.8 m170 -52.71 -52.37 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.758 ' HA ' HD12 ' A' ' 115' ' ' LEU . 11.1 mm100 -41.12 -47.25 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.1 t -42.37 -41.9 3.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.6 p90 -131.6 78.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 112' ' ' GLN . 12.6 mt -131.8 -44.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.74 -46.12 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -47.82 167.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 83.3 p -96.81 158.35 15.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -61.8 122.15 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -89.81 90.47 8.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -59.45 164.47 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.39 156.77 48.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -125.58 175.69 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -110.42 152.26 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 m -103.25 168.78 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -91.64 -144.54 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 134.19 27.5 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.0 t -138.4 173.87 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.8 t -108.65 141.52 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -139.83 120.71 14.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.894 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -173.48 149.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.04 48.14 0.61 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 p -134.93 134.87 41.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 m -39.63 -58.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.34 172.46 26.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.6 p -135.47 164.29 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -55.97 175.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -169.14 136.14 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -59.64 147.43 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.09 93.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.74 23.48 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m 40.63 50.02 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -62.15 164.35 11.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.721 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.3 Cg_endo -69.79 -41.71 4.01 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.8 p -55.6 -38.46 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 80.2 m-20 -60.49 -51.07 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -47.88 -35.13 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 17' ' ' VAL . 18.3 mt -73.94 -51.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -41.72 -37.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.81 -37.67 73.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.568 HG22 HG21 ' A' ' 30' ' ' VAL . 26.3 m -59.84 -49.44 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 25' ' ' SER . 36.1 pt -60.56 -32.17 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 27.2 t -65.13 -59.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -56.51 13.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -82.39 95.59 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -40.27 -32.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.24 128.51 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.717 HG11 ' CE2' ' A' ' 32' ' ' PHE . 75.7 t -134.44 118.3 26.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.13 101.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.717 ' CE2' HG11 ' A' ' 30' ' ' VAL . 58.8 m-85 -88.89 105.94 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.7 p -110.81 167.27 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HE3' ' CB ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -112.78 4.22 16.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.0 p 48.27 45.84 20.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -130.06 -34.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' CB ' ' HE3' ' A' ' 34' ' ' LYS . 11.9 t -113.47 159.96 18.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 m -63.75 -37.15 86.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -43.34 -37.77 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -40.51 38.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 3.4 m -81.27 -30.44 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.0 mmm -59.31 -39.6 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -62.54 -66.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 3.8 pttp -59.84 -32.14 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 41' ' ' THR . 75.2 tttt -61.8 -38.66 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 98' ' ' HIS . 7.3 tp -67.53 -51.66 48.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -63.02 -39.99 96.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -52.44 -57.16 10.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.88 -33.3 61.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 mtp -75.87 -14.97 60.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 70.94 35.54 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.9 102.48 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -39.94 114.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 44' ' ' LYS . 35.6 p90 -117.05 171.81 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -133.62 105.78 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.44 133.03 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.4 t -122.7 115.25 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.705 ' CB ' HD22 ' A' ' 61' ' ' LEU . 4.4 mp0 -78.67 102.83 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' LEU . 90.7 mt -70.97 -49.4 45.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -51.96 -36.86 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.705 HD22 ' CB ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.34 -35.53 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' LEU . 17.1 mt -57.5 148.61 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.76 -40.53 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -101.44 38.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.84 -47.74 86.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -56.88 -17.07 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.19 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.33 -30.48 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -57.12 -49.48 75.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.5 -58.33 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.7 -49.34 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' MET . 24.9 mt -60.89 -57.11 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.446 ' CD2' ' C ' ' A' ' 78' ' ' GLU . 6.8 t80 -42.09 -29.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -80.46 -37.53 31.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtm -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.652 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 10.5 p -95.7 -43.1 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.32 -19.64 22.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' C ' ' CD2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -127.89 -176.42 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -111.79 -7.03 14.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.698 ' O ' HG13 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -44.35 167.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -167.64 159.35 9.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.122 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.77 -179.92 20.53 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.315 -0.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.423 ' NH2' ' HA ' ' A' ' 79' ' ' ARG . 47.9 mtt180 -114.22 113.57 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.07 129.13 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.652 ' HZ ' HG22 ' A' ' 76' ' ' THR . 11.0 m-85 -125.7 119.19 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 HD12 ' A' ' 91' ' ' ILE . 98.0 t -103.8 111.13 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 63.36 35.22 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.58 44.88 38.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.8 m -153.71 146.78 24.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.16 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -90.59 108.79 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.781 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.44 -19.36 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 170.87 17.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.25 -156.06 32.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.76 -64.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -54.7 -70.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.92 -68.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.466 ' O ' HD12 ' A' ' 106' ' ' LEU . 99.3 m -40.19 -43.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.646 ' HA ' HD22 ' A' ' 46' ' ' LEU . 4.6 t60 -65.61 -49.17 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -39.57 85.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 94.0 mt -53.63 -52.59 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -56.51 -37.7 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -59.73 -55.24 36.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -68.81 -27.06 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.57 35.65 4.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -114.68 9.85 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 110' ' ' VAL . 7.9 tt -109.52 -48.92 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.748 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -57.22 -43.96 99.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.98 -34.58 23.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.03 -30.04 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 106' ' ' LEU . 70.9 t -58.08 -57.27 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.748 ' CE1' HD11 ' A' ' 107' ' ' LEU . 42.7 m170 -49.4 -40.8 37.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.46 -28.77 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.1 -39.83 29.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.5 p90 -132.39 69.08 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.3 mt -139.07 170.32 16.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt 56.12 50.82 12.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -104.64 91.8 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -97.68 167.81 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -50.7 -53.99 26.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.63 153.1 40.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -162.26 143.1 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -116.79 153.41 32.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -157.46 157.64 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -173.45 132.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -139.25 163.43 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -127.59 88.34 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 94.38 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.6 t -94.1 143.05 26.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.0 m -58.74 115.05 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -133.02 43.75 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -134.38 116.12 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.56 122.35 2.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -162.48 175.81 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -137.8 165.62 26.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.54 87.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -154.92 166.12 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD1' ' OE1' ' A' ' 10' ' ' GLU . 4.4 pp -125.54 1.95 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' OE1' ' CD1' ' A' ' 9' ' ' LEU . 1.6 pm0 -134.52 103.26 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -168.86 140.73 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 mt -75.41 141.54 43.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.29 23.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -105.33 44.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -52.93 158.74 2.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.79 -40.26 5.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.262 . . . . 0.0 112.302 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 18' ' ' ASN . 7.6 p -53.57 -41.87 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' N ' HG13 ' A' ' 17' ' ' VAL . 48.8 m-20 -55.4 -42.56 74.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 49.1 mm-40 -60.41 -31.45 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.4 mt -80.71 -48.73 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -47.27 -36.71 9.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.27 -42.29 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 m -58.14 -51.02 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.603 HD12 ' HA2' ' A' ' 88' ' ' GLY . 31.3 pt -60.96 -26.83 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -76.95 -57.82 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -56.76 -52.31 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -78.54 161.73 26.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 99.9 m -83.82 -51.78 6.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.34 140.98 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.98 136.52 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -124.18 105.66 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -91.85 107.26 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -114.24 169.93 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HD3' HG21 ' A' ' 81' ' ' VAL . 17.3 pttt -131.37 28.88 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 34' ' ' LYS . 33.1 p 31.43 46.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.0 t -133.02 -40.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.37 167.51 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 m -87.07 -40.44 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.407 ' CD1' ' SD ' ' A' ' 42' ' ' MET . 21.7 m-85 -47.57 -26.79 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 23.5 p -48.87 -24.23 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -92.46 -35.47 13.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 8.5 ptm -59.82 -41.7 91.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.91 -56.29 5.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 56' ' ' VAL . 61.1 mttt -55.01 -41.91 71.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -72.36 -36.56 68.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -53.85 -52.66 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -68.55 -46.89 68.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -47.86 -52.13 20.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.98 -33.99 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.407 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -75.59 -14.71 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 71.28 30.78 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.669 ' CG1' HG11 ' A' ' 110' ' ' VAL . 84.8 t -103.82 98.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.9 t-20 -35.5 115.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -116.63 172.06 7.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 106.66 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -93.1 148.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -146.85 105.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.584 ' HB3' HD23 ' A' ' 61' ' ' LEU . 2.8 mp0 -78.57 115.32 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.83 HD11 HD12 ' A' ' 72' ' ' LEU . 86.3 mt -78.91 -43.56 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' C ' HD22 ' A' ' 61' ' ' LEU . 11.2 t70 -60.54 -12.47 10.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.654 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.3 -40.49 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.4 mt -55.31 161.86 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -73.43 -34.83 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -106.44 33.98 3.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.17 88.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.71 -24.29 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.732 0.301 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -82.83 -70.17 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.2 m-85 -52.17 -20.98 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.47 -43.15 73.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.46 -45.71 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.48 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.83 HD12 HD11 ' A' ' 59' ' ' LEU . 30.8 mt -66.59 -47.33 73.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -51.0 -25.08 4.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -84.19 -51.19 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 15.0 mtm -59.85 -19.78 53.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.681 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 15.1 p -104.01 -43.59 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.82 -22.78 31.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -128.7 159.57 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -99.57 50.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.799 ' O ' HG13 ' A' ' 81' ' ' VAL . 31.1 p -98.38 174.98 6.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 80' ' ' THR . 2.7 m -167.05 155.05 8.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.4 Cg_endo -69.76 -179.43 19.15 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.348 -0.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.445 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 0.6 OUTLIER -123.96 114.69 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.06 138.12 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.681 ' HZ ' HG22 ' A' ' 76' ' ' THR . 23.4 m-85 -138.24 120.39 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.0 t -102.99 116.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 53.64 41.08 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.603 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 68.8 42.7 78.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.56 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.0 m -147.73 129.73 15.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.24 89.06 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.602 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -65.91 -25.34 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.3 13.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -68.82 169.45 42.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.514 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -36.04 -61.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -49.89 -68.31 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -40.68 -58.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.633 ' CG2' HD11 ' A' ' 106' ' ' LEU . 54.3 m -43.44 -53.74 5.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -50.24 -39.21 44.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -65.71 -43.52 88.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.6 mt -47.65 -51.29 22.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.407 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 9.7 t60 -53.77 -61.66 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -42.07 -47.67 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.99 -28.27 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.35 46.47 2.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -127.41 8.96 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.633 HD11 ' CG2' ' A' ' 97' ' ' THR . 3.4 tt -101.94 -59.42 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.625 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -54.72 -43.87 98.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.2 Cg_exo -47.91 -29.42 11.68 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.2 mt -91.66 -40.3 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.669 HG11 ' CG1' ' A' ' 52' ' ' VAL . 95.1 t -47.5 -44.11 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.625 ' CE1' HD11 ' A' ' 107' ' ' LEU . 51.8 m170 -65.72 -41.49 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.671 ' OE1' HD22 ' A' ' 115' ' ' LEU . 15.1 mm100 -40.19 -37.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.6 t -50.89 -48.74 60.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 3.1 p90 -128.01 49.12 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.671 HD22 ' OE1' ' A' ' 112' ' ' GLN . 9.8 tp -79.26 166.16 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.1 tttm 69.64 47.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' LYS . 31.7 tttt -105.94 147.43 28.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -47.92 90.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -175.0 177.74 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -73.47 117.6 15.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -150.37 165.19 33.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.72 73.0 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.461 ' O ' ' CG ' ' A' ' 123' ' ' PHE . 3.2 p90 -47.16 124.96 7.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -173.81 137.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -127.5 172.35 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -148.34 65.28 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 96.34 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.2 t -83.71 81.57 8.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -38.12 138.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -94.05 135.21 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -151.23 129.47 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.91 165.16 16.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -112.71 157.3 21.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -121.12 117.99 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.5 43.77 18.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.2 p -95.6 101.39 13.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.7 tt -110.64 -5.91 14.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -126.76 40.06 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -117.64 141.85 47.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -82.99 103.91 12.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.33 22.27 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 14' ' ' THR . 25.6 m -107.92 39.02 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -55.55 163.97 1.7 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.042 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.692 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.82 -41.9 3.8 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.6 p -52.26 -46.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.575 HD22 ' HB3' ' A' ' 15' ' ' ALA . 44.1 m-80 -54.09 -51.84 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -51.69 -37.35 50.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' THR . 34.9 mt -71.65 -54.99 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -39.61 -41.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.71 -38.93 92.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 20' ' ' ILE . 94.3 m -64.08 -48.44 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.513 ' HA ' HG21 ' A' ' 30' ' ' VAL . 24.4 pt -67.52 -34.98 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -60.36 -40.54 91.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.6 -63.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -73.7 158.28 34.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -85.38 -53.31 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.65 114.48 46.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG21 ' HA ' ' A' ' 24' ' ' ILE . 79.9 t -114.56 110.36 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 47' ' ' PHE . 56.8 mt -101.19 100.24 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 20.4 m-85 -87.71 116.08 25.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -122.02 152.33 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' THR . 8.8 ptpt -119.74 27.53 8.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . 62.1 p 33.57 49.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.8 m -130.07 -45.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.94 171.63 9.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -82.45 -41.95 19.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CB ' ' HD2' ' A' ' 82' ' ' PRO . 23.5 m-85 -48.52 -21.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 13.5 p -53.42 -22.99 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 42' ' ' MET . 3.2 t -95.08 -40.05 9.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' A' ' 39' ' ' TYR . 10.3 ptm -56.1 -41.68 75.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.42 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -53.28 -49.47 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -64.42 -35.88 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 tp -56.89 -65.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 81.7 m-85 -64.7 -42.77 95.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -52.92 -52.39 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.15 -31.23 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.1 mtp -78.55 -10.95 59.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 m120 64.12 33.79 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 110' ' ' VAL . 93.7 t -105.13 99.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' VAL . 26.1 t-20 -35.38 113.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -116.9 172.14 7.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -131.05 105.57 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.1 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 81.7 t -134.57 105.12 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.57 100.12 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 32' ' ' PHE . 32.3 mt -71.38 -52.08 20.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -43.43 -48.69 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -74.13 -39.23 63.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD22 ' CE1' ' A' ' 64' ' ' TYR . 17.5 mt -57.58 144.9 35.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 64' ' ' TYR . 7.4 pt-20 -67.47 -25.2 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.76 ' CE1' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -108.21 35.93 2.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.86 -41.74 9.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.55 -12.82 48.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 64' ' ' TYR . 5.8 pt20 -95.09 -46.78 6.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' A' ' 20' ' ' ILE . 23.8 m-85 -78.68 -14.72 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.12 -37.04 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -76.21 -50.75 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.87 -39.25 65.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 76' ' ' THR . 20.5 mt -63.72 -52.35 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -46.88 -28.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -80.4 -47.57 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 17' ' ' VAL . 20.8 mtm -65.43 -20.22 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.5 p -97.88 -51.91 3.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.11 -14.98 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -147.94 173.6 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -102.04 42.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.6 p -96.84 117.61 31.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.2 OUTLIER -120.26 157.85 52.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.75 179.54 21.99 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.331 -0.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG3' HG12 ' A' ' 81' ' ' VAL . 24.6 mtt-85 -122.81 120.87 34.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.8 135.76 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -132.98 122.5 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.93 107.59 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 66.44 30.6 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.23 41.57 21.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -147.24 127.6 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.159 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 76' ' ' THR . 50.7 t80 -75.1 89.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -73.03 -24.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.65 159.56 9.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -71.34 173.87 42.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -35.05 -60.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 m -48.16 -64.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -47.63 -59.05 3.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD12 ' A' ' 100' ' ' LEU . 95.8 m -41.99 -44.02 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -59.91 -41.7 92.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -66.74 -49.48 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 97' ' ' THR . 71.1 mt -42.12 -57.06 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -47.95 -40.6 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -70.75 -52.41 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.78 -17.05 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.64 46.86 5.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -131.5 15.74 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 4.9 tt -116.34 -58.97 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.873 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.31 -43.69 99.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.1 Cg_exo -48.0 -25.28 6.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -95.81 -37.29 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.544 HG11 HG11 ' A' ' 52' ' ' VAL . 47.0 t -58.08 -34.73 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.888 ' O ' HD13 ' A' ' 115' ' ' LEU . 56.8 m170 -93.95 39.78 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.475 ' OE1' HD22 ' A' ' 115' ' ' LEU . 5.8 mm100 -131.76 -39.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -60.96 -60.74 3.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.4 ' O ' ' CG ' ' A' ' 114' ' ' TYR . 1.3 p90 -88.24 20.66 3.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.888 HD13 ' O ' ' A' ' 111' ' ' HIS . 12.1 tp -62.22 161.51 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.5 tttp 70.62 52.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -100.56 128.03 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' LYS . 60.2 p -36.45 114.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -157.09 143.65 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -80.6 44.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -137.19 147.13 45.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -44.06 155.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -160.37 151.12 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -76.81 173.96 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.1 p -80.65 162.2 24.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -136.47 122.09 2.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -32.85 17.71 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 60.6 p -80.47 170.54 16.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.1 p -126.11 108.78 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m 49.65 42.45 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -118.23 137.2 53.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.63 41.34 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -77.52 84.32 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -68.59 -55.05 12.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.46 -168.06 12.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -101.35 -46.55 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 tp -151.42 115.03 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -81.99 122.33 27.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -129.84 21.89 5.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.57 102.77 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.79 22.35 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -98.44 48.52 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -50.65 164.06 0.43 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.703 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.583 HG23 ' HB1' ' A' ' 71' ' ' ALA . 4.9 p -51.49 -36.11 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -62.16 -46.88 87.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.05 -30.0 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.525 HG23 ' CZ ' ' A' ' 32' ' ' PHE . 29.5 mt -81.65 -41.62 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -56.07 -41.44 75.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.8 -32.5 74.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.527 HG22 HG21 ' A' ' 30' ' ' VAL . 97.4 m -69.29 -51.79 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.608 HD12 ' HA2' ' A' ' 88' ' ' GLY . 16.3 pt -64.55 -33.93 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -66.52 -39.33 88.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -82.42 -59.51 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -64.93 168.17 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 m -89.65 -48.93 6.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 47' ' ' PHE . 45.8 t -134.53 130.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 23' ' ' THR . 86.8 t -129.07 110.75 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 47' ' ' PHE . 72.6 mt -98.12 112.95 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' HG23 ' A' ' 20' ' ' ILE . 29.0 m-85 -98.67 109.32 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 p -117.79 153.39 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 35' ' ' THR . 11.0 ptmt -118.0 33.01 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.683 HG21 HD21 ' A' ' 61' ' ' LEU . 43.2 p 30.29 45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.459 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 33.0 t -122.89 -46.14 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.11 161.08 14.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -73.23 -28.07 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 60.2 m-85 -56.47 -15.62 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' O ' ' CE ' ' A' ' 44' ' ' LYS . 18.2 p -55.75 -36.35 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' MET . 1.3 t -82.9 -39.2 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 30.7 mtp -48.47 -52.88 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 31' ' ' ILE . . . -55.65 -48.04 75.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 40' ' ' CYS . 1.6 mppt? -60.13 -60.11 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -28.98 63.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 97' ' ' THR . 31.0 tp -64.85 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 31' ' ' ILE . 57.4 m-85 -63.47 -46.38 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -51.23 -55.75 16.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.58 -30.36 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 27.7 mtp -80.76 -13.66 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.93 34.2 3.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.9 t -105.88 101.83 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' VAL . 9.7 t-20 -37.71 111.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -119.0 172.19 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.91 106.2 5.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -91.48 137.26 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.8 t -128.5 101.9 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.697 ' HB3' HD23 ' A' ' 61' ' ' LEU . 16.5 mt-10 -69.57 131.49 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 68' ' ' PHE . 12.9 mt -103.61 -43.54 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.43 -26.4 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.697 HD23 ' HB3' ' A' ' 58' ' ' GLU . 1.2 mm? -93.91 -41.3 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 58' ' ' GLU . 11.6 mt -45.84 172.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -80.83 -56.46 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 2.3 p90 -91.75 38.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -54.53 -49.19 61.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -50.81 -24.27 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.73 -67.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' CB ' HD22 ' A' ' 59' ' ' LEU . 3.4 m-85 -55.42 -15.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -74.01 -52.29 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.88 -49.36 65.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.22 -53.03 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.87 -60.44 2.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -41.33 -29.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -86.27 -40.02 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.426 ' CG ' ' CG2' ' A' ' 17' ' ' VAL . 10.6 mtm -61.06 -29.69 69.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -115.68 -52.52 2.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.8 -11.8 9.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -110.06 150.35 28.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 2.3 mtm180 -93.3 -33.2 14.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -37.35 153.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.501 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -144.96 159.2 50.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.644 0.735 . . . . 0.0 111.128 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.74 -178.42 16.65 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.36 -0.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HD2' HG12 ' A' ' 81' ' ' VAL . 6.0 mpt_? -112.11 124.38 52.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 91' ' ' ILE . 4.6 mp -104.35 133.06 49.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 42.4 m-85 -136.33 136.6 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.451 HG23 HD12 ' A' ' 91' ' ' ILE . 91.5 t -120.25 109.06 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.5 OUTLIER 66.18 36.44 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.608 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.86 34.94 72.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.6 m -145.89 120.72 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 111.135 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 45.2 t80 -62.53 134.5 56.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -125.15 -13.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.55 165.84 11.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -82.08 -161.67 29.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 39' ' ' TYR . . . -49.94 -54.74 17.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -59.91 -68.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.47 -55.71 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.499 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -50.54 -45.02 56.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.67 -41.07 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 102' ' ' LYS . 68.6 ttt180 -64.35 -51.83 61.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.59 ' HB2' HD12 ' A' ' 106' ' ' LEU . 89.4 mt -40.54 -54.67 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.8 t60 -51.71 -33.82 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' ARG . 51.6 mttt -76.93 -56.46 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.28 -25.41 64.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.27 42.09 4.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -129.21 14.07 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 100' ' ' LEU . 4.8 tt -112.87 -46.15 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.762 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -65.12 -43.69 67.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 63.9 Cg_exo -47.96 -28.45 10.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -91.83 -43.87 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 106' ' ' LEU . 73.6 t -50.47 -34.45 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.762 ' CE1' HD11 ' A' ' 107' ' ' LEU . 55.3 m170 -91.58 38.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.558 ' HA ' HD12 ' A' ' 115' ' ' LEU . 43.8 mt-30 -130.32 -41.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 25.4 p -65.31 -38.58 90.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.623 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 0.2 OUTLIER -73.74 -33.88 64.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 112' ' ' GLN . 12.0 mt -48.34 159.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -40.52 131.51 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -139.66 -177.84 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 p -92.83 162.24 14.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -63.18 165.04 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -133.78 144.29 48.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -80.43 148.51 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -106.64 152.99 23.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.08 136.43 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.45 153.82 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.9 m -121.2 121.87 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.12 -154.79 6.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.1 69.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 49.9 m -153.86 139.58 17.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.0 m -69.23 165.33 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -76.19 174.06 10.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -54.31 162.1 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.99 74.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 64.2 42.24 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 133.28 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.45 47.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -83.39 84.6 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.82 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.32 105.38 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.33 146.38 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -134.16 156.92 47.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -96.21 113.68 25.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.18 21.38 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.0 m 45.94 47.07 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.629 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -66.55 161.64 57.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.567 0.699 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.629 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -43.34 2.71 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.9 p -52.91 -40.72 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 17' ' ' VAL . 38.7 m-20 -59.4 -47.3 85.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.04 -24.73 10.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.503 HG23 ' CE2' ' A' ' 32' ' ' PHE . 46.4 mt -87.72 -43.24 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.15 -23.78 49.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 11.7 pt-20 -85.3 -39.86 17.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 30' ' ' VAL . 33.8 m -63.5 -36.22 83.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.582 HD12 ' HA2' ' A' ' 88' ' ' GLY . 28.5 pt -75.49 -31.73 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.8 t -75.75 -59.33 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -51.86 -48.31 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -86.24 -176.01 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.0 -47.28 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.38 132.44 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.606 HG11 ' CE2' ' A' ' 32' ' ' PHE . 97.0 t -128.8 111.2 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mt -94.91 99.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CE2' HG11 ' A' ' 30' ' ' VAL . 50.1 m-85 -87.5 104.57 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.3 p -140.1 172.0 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HE3' HG21 ' A' ' 81' ' ' VAL . 14.4 ptpt -122.25 -173.74 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.6 p -109.12 59.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -133.68 -39.68 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -95.97 160.0 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 p -79.03 -45.59 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' THR . 21.8 m-85 -45.72 -37.29 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -39.99 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.3 t -94.27 -38.65 10.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.476 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 10.8 ptm -54.93 -46.8 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.58 -51.84 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.61 -51.75 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -58.19 -45.73 87.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.01 -72.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.89 -38.18 64.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -48.96 -49.41 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -65.71 -28.15 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 9.9 mtm -81.58 -9.95 59.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 64.41 37.52 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.3 t -107.23 95.52 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' VAL . 69.9 m-80 -34.64 114.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -121.73 166.21 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -132.4 105.76 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.2 132.15 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.4 t -119.25 123.57 71.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -86.53 105.58 16.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.4 mt -72.98 -18.24 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.63 -57.38 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' H ' HD22 ' A' ' 61' ' ' LEU . 1.6 mm? -66.95 -27.37 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' GLY . 13.8 mt -59.94 108.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.7 -40.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -99.76 40.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -64.84 -51.04 55.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -53.08 -20.05 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.34 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -79.67 -70.06 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.52 -21.13 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.67 -41.1 96.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.84 -47.57 52.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.23 64.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' THR . 34.7 mt -66.7 -50.77 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -48.99 -18.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -87.77 -49.28 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.18 -14.77 63.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 72' ' ' LEU . 6.3 p -107.51 -40.14 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.3 53.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 80' ' ' THR . 6.9 tt0 -146.93 159.41 43.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -104.74 51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.523 ' O ' ' NE ' ' A' ' 83' ' ' ARG . 54.2 p -106.78 107.56 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -95.5 160.45 30.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.684 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.71 -177.6 14.83 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.358 -0.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.523 ' NE ' ' O ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -136.15 115.42 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 91' ' ' ILE . 4.7 mp -98.03 138.55 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.545 ' HZ ' HG22 ' A' ' 76' ' ' THR . 29.8 m-85 -133.98 118.35 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 89' ' ' THR . 81.3 t -109.13 141.21 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 86' ' ' VAL . 34.5 t-20 35.02 47.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.18 39.61 97.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 86' ' ' VAL . 0.7 OUTLIER -128.44 -177.87 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.169 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 76' ' ' THR . 8.6 t80 -132.26 71.79 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -57.86 -18.92 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.63 -155.63 22.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.07 -159.31 25.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.684 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -55.97 -70.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.08 -68.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -44.04 -61.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.438 HG23 HD11 ' A' ' 106' ' ' LEU . 99.2 m -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.65 -51.91 67.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -59.05 -41.05 86.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 91' ' ' ILE . 40.5 mt -50.91 -55.03 19.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.597 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 74.5 t60 -53.14 -42.94 66.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -55.85 -67.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.52 -23.89 42.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.24 38.26 5.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -109.54 -3.52 16.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 110' ' ' VAL . 7.2 tt -99.97 -35.26 9.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -61.98 -43.89 88.13 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.94 -26.46 7.46 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.4 -43.26 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 106' ' ' LEU . 46.4 t -50.43 -37.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.796 ' CE1' HD11 ' A' ' 107' ' ' LEU . 30.0 m170 -70.4 -21.64 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.498 ' HA ' HD12 ' A' ' 115' ' ' LEU . 78.1 mt-30 -76.4 -13.19 60.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -55.18 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 114' ' ' TYR . 2.7 p90 -66.72 -30.79 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 112' ' ' GLN . 10.5 mt -39.06 154.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' LEU . 10.9 ptpt -35.69 -52.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.494 ' HB3' ' HZ2' ' A' ' 117' ' ' LYS . 4.7 mtpm? 40.04 49.23 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 117' ' ' LYS . 5.4 t -35.82 125.57 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -159.32 177.89 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -65.73 147.62 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.1 95.33 5.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -99.04 24.14 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -86.91 171.34 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -164.31 170.12 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.8 t -75.95 143.76 41.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 162.63 124.11 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.4 Cg_endo -69.79 -2.91 10.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 127' ' ' PRO . 1.1 t -36.39 118.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.7 p -104.32 -37.06 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -174.79 157.3 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -172.9 168.54 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 142.21 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -172.84 109.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -160.71 160.83 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.17 116.38 2.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' HD12 ' A' ' 9' ' ' LEU . 90.7 p -174.35 106.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 8' ' ' SER . 5.4 mp -144.47 173.54 11.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.36 145.81 44.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -162.05 178.99 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.3 124.77 26.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.04 105.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 14' ' ' THR . 15.3 m -82.57 37.73 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -43.88 159.15 0.24 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.581 0.705 . . . . 0.0 111.099 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.2 Cg_endo -69.79 -43.25 2.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.63 -33.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 64.9 m-80 -63.81 -46.75 83.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -54.93 -31.9 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.658 HD11 ' HD1' ' A' ' 68' ' ' PHE . 59.5 mt -75.75 -40.12 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.52 -41.87 95.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -72.72 -36.68 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -63.76 -54.44 35.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.841 HD12 ' HA2' ' A' ' 88' ' ' GLY . 46.6 pt -52.3 -33.55 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' ILE . 40.8 t -70.9 -62.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -46.3 -58.16 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -77.74 151.66 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.0 t -70.21 -53.37 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -131.1 140.59 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 32' ' ' PHE . 88.0 t -135.3 124.72 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 56' ' ' VAL . 39.0 mt -115.64 116.9 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.459 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 65.6 m-85 -103.64 106.72 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -117.71 145.42 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HE3' HG21 ' A' ' 81' ' ' VAL . 6.5 pttp -108.94 34.5 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' LYS . 64.3 p 32.86 42.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.7 m -119.6 -47.27 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -95.22 130.71 41.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 40' ' ' CYS . 6.1 m -46.12 -50.09 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 44.5 m-85 -37.53 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 38' ' ' SER . 31.2 p -39.69 -41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 t -76.08 -38.41 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.1 mmm -50.24 -56.06 12.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.06 -62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.85 -40.83 81.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -58.78 -33.19 70.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD13 ' ND1' ' A' ' 98' ' ' HIS . 16.1 tp -70.94 -55.63 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 31' ' ' ILE . 66.5 m-85 -63.12 -54.12 42.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.95 -45.24 7.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -65.51 -34.86 79.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 18.3 mtp -78.18 -8.02 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 62.02 35.81 15.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ASN . 95.8 t -105.38 103.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' VAL . 23.0 t-20 -38.01 110.45 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 44' ' ' LYS . 36.6 p90 -116.58 171.98 7.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -136.25 110.11 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HD2' ' A' ' 44' ' ' LYS . 1.2 p -102.28 140.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.5 t -128.26 113.72 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -79.67 99.86 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' A' ' 62' ' ' LEU . 82.0 mt -71.08 -50.21 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 3.8 t70 -43.54 -47.12 7.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.31 -39.93 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 59' ' ' LEU . 35.4 mt -53.42 136.89 36.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -57.65 -41.14 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -98.8 37.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.56 29.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -47.57 -29.65 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.95 -72.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.658 ' HD1' HD11 ' A' ' 20' ' ' ILE . 31.9 m-85 -57.07 -25.46 58.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -61.4 -48.73 79.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.68 -57.17 9.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.87 -51.66 4.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HG ' HD13 ' A' ' 20' ' ' ILE . 28.2 mt -56.78 -50.7 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -47.94 -29.02 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -79.24 -44.99 20.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 16.4 mtm -70.41 -25.12 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.607 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 28.4 p -99.29 -38.84 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.36 -34.6 5.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 80' ' ' THR . 2.7 tp10 -123.21 153.99 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 17.4 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 78' ' ' GLU . 76.2 p -64.45 158.38 24.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 ' HE3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -155.01 158.56 32.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.76 -178.1 16.0 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.333 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD3' HG21 ' A' ' 76' ' ' THR . 1.6 mmp_? -121.02 112.6 18.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 93' ' ' GLY . 5.2 mp -100.94 136.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.607 ' HZ ' HG22 ' A' ' 76' ' ' THR . 15.5 m-85 -135.49 118.22 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.678 HG23 HD12 ' A' ' 91' ' ' ILE . 95.0 t -99.38 121.33 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 48.59 40.33 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.841 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 69.37 36.53 78.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 46.5 m -144.22 126.15 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.37 . . . . 0.0 111.093 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -74.52 112.83 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.791 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -102.86 -29.26 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.0 167.1 22.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.431 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -81.92 -156.97 18.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.58 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -51.95 -58.49 6.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.2 m -58.99 -71.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.17 -61.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.529 HG22 ' CD2' ' A' ' 46' ' ' LEU . 66.4 m -41.46 -49.0 3.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.547 ' ND1' HD13 ' A' ' 46' ' ' LEU . 2.5 t60 -56.81 -53.79 53.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -52.07 -53.55 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.0 mt -40.42 -58.3 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 55.3 t60 -51.6 -47.36 63.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -51.72 -64.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.76 -29.01 69.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 53.03 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -126.34 -8.84 6.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.518 HD23 HG23 ' A' ' 110' ' ' VAL . 6.0 tt -94.73 -55.93 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.595 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER -52.63 -44.64 95.59 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.0 Cg_exo -47.97 -33.38 20.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.216 . . . . 0.0 112.41 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -88.2 -37.82 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.518 HG23 HD23 ' A' ' 106' ' ' LEU . 87.3 t -49.35 -53.63 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.55 ' CE1' HD11 ' A' ' 107' ' ' LEU . 31.8 m170 -54.01 -42.28 68.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -55.31 -55.17 34.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 114' ' ' TYR . 0.8 OUTLIER -40.47 -41.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 1.5 p90 -131.77 44.36 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 111' ' ' HIS . 9.3 tp -62.62 167.97 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 115' ' ' LEU . 59.5 tttt -34.54 108.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 118' ' ' SER . 11.5 tptp -166.14 160.76 16.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 117' ' ' LYS . 44.2 p -33.94 109.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -143.57 164.71 29.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -113.65 138.01 50.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -49.86 148.42 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -155.64 162.18 40.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -148.67 176.18 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -164.03 146.85 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.5 p -114.91 175.3 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.88 146.04 13.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.354 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 p -155.63 177.21 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -128.2 175.51 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -57.27 143.77 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -103.71 108.09 19.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.95 170.65 18.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 t -114.81 103.79 11.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -152.88 123.91 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.58 83.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 t -124.08 134.49 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -140.12 159.41 42.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -118.64 43.26 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -163.97 144.44 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.64 92.83 2.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.98 23.9 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m 42.14 40.25 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -48.63 161.54 0.4 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.75 -38.79 7.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.692 2.261 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.45 -37.63 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.89 -46.93 87.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 68' ' ' PHE . 26.4 mt-30 -51.57 -24.86 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.5 HG23 ' CE2' ' A' ' 32' ' ' PHE . 32.4 mt -88.26 -35.31 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -61.8 -36.68 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.28 -38.37 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.9 m -64.86 -50.9 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.56 HD12 ' HA2' ' A' ' 88' ' ' GLY . 41.1 pt -57.88 -32.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 24' ' ' ILE . 37.4 t -66.93 -59.75 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.79 -56.16 22.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -79.34 173.11 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.45 -56.47 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.6 t -119.9 125.02 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -126.02 113.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' CD2' ' A' ' 47' ' ' PHE . 33.0 mt -99.79 109.68 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CE2' HG23 ' A' ' 20' ' ' ILE . 22.5 m-85 -92.83 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.1 p -113.19 171.92 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.739 ' CD ' HG21 ' A' ' 81' ' ' VAL . 17.8 ptmt -131.36 25.01 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.652 HG21 ' CD1' ' A' ' 61' ' ' LEU . 3.1 t 32.13 45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 1.2 t -134.95 -41.24 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 81' ' ' VAL . 20.7 p -90.66 146.25 24.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -61.6 -28.22 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.408 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 35.4 m-85 -64.64 -16.2 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.4 -55.02 40.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -67.59 -29.27 68.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 mmm -53.69 -57.89 9.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.34 -61.51 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -46.57 -38.2 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -71.11 -49.64 42.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -45.94 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HD11 ' A' ' 31' ' ' ILE . 86.7 m-85 -57.21 -40.13 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -51.78 -57.18 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -56.91 -33.46 66.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.3 mtp -77.2 -9.2 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 59.56 37.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 110' ' ' VAL . 86.9 t -105.94 103.54 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' VAL . 54.1 t30 -38.16 110.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -116.7 171.06 8.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -129.74 105.61 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.58 141.53 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 105.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.6 ' HB2' HD22 ' A' ' 61' ' ' LEU . 17.6 mt-10 -77.06 99.91 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 72' ' ' LEU . 30.6 mt -58.05 -48.17 80.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -45.2 -37.92 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 35' ' ' THR . 4.6 mp -72.69 -37.03 67.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.4 mt -58.08 161.71 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -80.28 -42.15 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -99.66 40.26 1.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.25 -42.6 95.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.5 -19.4 24.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -84.23 -65.63 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' GLN . 3.4 m-85 -58.65 -25.97 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.46 -47.73 82.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.88 -44.76 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.01 -46.57 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 76' ' ' THR . 23.7 mt -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.2 -27.83 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -84.24 -44.86 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.1 mtm -66.34 -22.59 66.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -101.51 -47.6 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.32 -24.04 11.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -131.76 162.69 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -96.39 51.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.1 p -108.14 117.79 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -114.93 156.92 44.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.79 -178.73 17.4 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.5 ' HG2' HG21 ' A' ' 76' ' ' THR . 0.1 OUTLIER -117.24 113.37 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.31 131.93 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HZ ' HG22 ' A' ' 76' ' ' THR . 17.3 m-85 -133.52 121.61 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 91' ' ' ILE . 98.7 t -102.54 114.6 42.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 56.62 43.26 25.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 66.87 39.71 93.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.2 m -149.23 140.55 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -85.9 120.84 27.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.871 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -109.07 -23.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.85 166.59 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' ALA . . . -85.7 -176.22 50.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' GLY . . . -34.21 -61.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 111.141 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -53.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 99' ' ' ARG . 82.8 m-20 -46.12 -68.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.605 ' CG2' HD11 ' A' ' 106' ' ' LEU . 87.7 m -39.7 -45.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -42.38 95.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ASP . 31.4 ttt180 -67.57 -46.91 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 105' ' ' LYS . 82.1 mt -41.91 -51.45 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -54.74 -44.15 73.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -52.11 -56.59 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -67.47 -30.95 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.93 45.37 1.62 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.74 7.48 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 97' ' ' THR . 5.6 tt -102.91 -59.25 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.761 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.7 OUTLIER -53.82 -44.19 97.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.7 Cg_exo -48.02 -29.67 12.53 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' HG11 ' A' ' 86' ' ' VAL . 16.4 mt -90.12 -37.3 14.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 52' ' ' VAL . 74.3 t -57.82 -42.33 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.761 ' CE1' HD11 ' A' ' 107' ' ' LEU . 42.4 m170 -92.31 56.07 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -134.8 -41.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.1 p -61.84 -55.2 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 114' ' ' TYR . 4.5 p90 -93.18 27.5 2.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 111' ' ' HIS . 9.9 tp -80.49 -43.35 20.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 117' ' ' LYS . 9.4 ttmt -48.66 164.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 116' ' ' LYS . 39.0 mtmt -34.36 132.13 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.0 t -161.44 -178.38 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -82.4 93.54 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -167.31 174.11 8.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 120' ' ' ARG . 1.4 mmmm -36.17 138.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.2 125.25 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -157.54 164.74 37.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -143.45 158.46 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.9 m -147.24 175.24 10.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -107.66 84.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.92 2.59 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.8 t -83.62 136.03 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -144.97 115.68 7.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -168.72 149.36 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.807 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -50.74 165.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.807 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.6 85.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -173.72 129.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -115.66 165.46 13.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.25 99.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.531 ' C ' HD13 ' A' ' 9' ' ' LEU . 11.0 t -150.79 145.74 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.28 165.22 27.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.79 14.58 15.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -145.49 147.35 32.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.6 114.02 12.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.74 19.55 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m 46.49 54.53 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -65.94 155.86 85.56 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 1.9 p -42.48 -45.25 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.519 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 5.3 m-20 -58.51 -49.69 76.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 87.3 mm-40 -47.14 -32.78 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.576 HG23 ' HZ ' ' A' ' 32' ' ' PHE . 32.9 mt -76.76 -48.84 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -50.11 -32.77 16.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 19' ' ' GLN . 5.0 pt-20 -80.56 -32.72 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 82.2 m -73.56 -37.53 65.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.866 HD12 ' HA2' ' A' ' 88' ' ' GLY . 29.0 pt -76.34 -16.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.8 m -88.34 -29.62 20.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -81.56 -60.12 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -76.77 153.89 34.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.4 m -59.56 -69.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -118.46 148.57 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 94.1 t -126.25 109.5 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -98.59 105.03 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' HZ ' HG23 ' A' ' 20' ' ' ILE . 59.9 m-85 -89.36 107.02 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -120.46 152.78 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.536 ' CD ' HG21 ' A' ' 81' ' ' VAL . 3.5 pttp -120.42 28.85 7.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . 18.5 p 33.64 48.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.1 m -128.26 -45.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.41 140.2 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 41' ' ' THR . 22.0 m -57.98 -39.92 79.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -52.67 -24.9 9.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.7 p -57.72 -16.78 12.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 38' ' ' SER . 1.3 t -95.23 -29.9 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.59 ' SD ' ' HB1' ' A' ' 94' ' ' ALA . 6.2 ptm -62.11 -47.0 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -55.12 -50.56 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -56.31 -49.12 75.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -64.83 -33.86 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD2' HG22 ' A' ' 97' ' ' THR . 46.9 tp -58.53 -64.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -64.93 -35.89 82.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.32 -57.04 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.5 -34.85 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.5 mtp -71.08 -13.59 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 68.45 31.83 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.596 ' CG1' HG11 ' A' ' 110' ' ' VAL . 34.4 t -104.03 112.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -52.92 116.76 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' HA ' HG23 ' A' ' 29' ' ' VAL . 31.8 p90 -119.8 172.17 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -130.55 105.63 7.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.13 139.51 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.7 t -130.18 103.7 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -71.77 103.6 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.31 -49.6 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -47.45 -39.22 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.6 -30.15 41.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.18 134.32 55.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.91 -35.2 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -105.01 37.84 2.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -53.2 43.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -50.35 -18.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -86.82 -64.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.81 -14.21 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -73.9 -50.02 22.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.1 -44.21 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.74 -43.34 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.8 mt -65.79 -47.97 73.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 t80 -53.52 -22.58 8.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -82.69 -38.1 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.473 ' SD ' HG22 ' A' ' 17' ' ' VAL . 23.6 mtm -83.84 -13.99 52.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.604 HG21 HH12 ' A' ' 83' ' ' ARG . 4.9 p -117.44 -35.33 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 94.13 -20.23 48.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -104.25 163.91 12.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -128.92 26.82 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.98 154.06 17.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG21 ' CD ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -134.81 159.01 73.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.177 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.78 -178.2 16.23 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.604 HH12 HG21 ' A' ' 76' ' ' THR . 1.0 OUTLIER -133.0 117.52 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.469 HG22 HD11 ' A' ' 91' ' ' ILE . 4.2 mp -98.22 130.11 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 32.3 m-85 -123.98 118.03 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -108.51 126.71 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 44.85 47.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.866 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 60.7 38.8 95.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -143.75 148.37 35.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -95.6 89.36 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -75.15 -17.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.21 170.45 16.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.6 -160.31 25.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.59 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -53.05 -62.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -48.64 -63.8 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.01 -63.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.634 HG23 HD11 ' A' ' 106' ' ' LEU . 97.6 m -41.68 -46.13 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -45.32 89.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 102' ' ' LYS . 43.9 ttt180 -67.13 -52.93 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 97' ' ' THR . 94.4 mt -37.41 -51.06 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -58.12 -37.51 74.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' ARG . 22.0 mmmt -61.47 -61.01 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.4 -34.39 73.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.1 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -122.33 15.6 10.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 97' ' ' THR . 5.2 tt -112.2 -46.38 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.004 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -60.29 -43.21 92.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.2 Cg_exo -47.96 -30.23 13.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.2 -46.01 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 106' ' ' LEU . 44.4 t -48.52 -27.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 1.004 ' CE1' HD11 ' A' ' 107' ' ' LEU . 17.6 m170 -101.68 30.08 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -124.14 -21.74 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 6.3 p -78.07 -31.79 50.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 0.8 OUTLIER -126.69 27.24 6.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 111' ' ' HIS . 8.0 tp -63.58 169.11 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' CE ' ' H ' ' A' ' 129' ' ' SER . 19.3 pttp 41.37 34.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -162.46 106.61 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -161.02 171.95 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -53.52 165.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -40.99 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -174.69 146.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.2 115.36 21.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 123' ' ' PHE . 13.6 p90 -128.76 94.99 3.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -97.73 86.94 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.6 m -155.98 125.96 6.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.53 136.1 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.5 p -173.19 158.24 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.425 ' H ' ' CE ' ' A' ' 116' ' ' LYS . 92.7 p -172.22 161.97 5.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 m 52.92 41.88 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -96.29 92.77 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.78 59.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -97.73 112.43 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p 42.86 42.19 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.09 -179.46 48.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -126.31 -51.8 1.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -157.42 111.86 2.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -86.54 -46.34 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -141.66 177.61 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' ' H ' ' A' ' 14' ' ' THR . 3.0 tp -92.01 140.36 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -131.58 32.2 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.464 ' H ' ' CD1' ' A' ' 12' ' ' LEU . 4.9 m 33.53 49.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . . . -50.81 157.73 1.29 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.631 0.729 . . . . 0.0 111.051 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.78 -42.19 3.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.513 HG23 ' HB1' ' A' ' 71' ' ' ALA . 7.1 p -55.37 -29.97 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.746 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 70.2 m-80 -68.11 -49.2 62.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.96 -29.17 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.99 -44.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -48.2 -41.2 26.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.29 -42.29 59.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.1 m -58.15 -56.71 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.626 HD12 ' HA2' ' A' ' 88' ' ' GLY . 47.9 pt -48.31 -37.85 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.4 m -73.74 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -47.45 -63.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.95 141.96 54.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -63.84 -43.66 95.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG11 ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t -142.36 139.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.57 130.5 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.7 mt -117.36 114.64 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -99.08 105.57 17.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.1 p -115.78 157.5 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' THR . 3.1 ptmm? -124.34 29.1 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LYS . 58.9 p 35.19 51.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -132.07 -45.57 0.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 t -98.63 125.78 44.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -47.0 -36.29 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 42' ' ' MET . 9.9 m-85 -44.09 -43.43 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 82' ' ' PRO . 60.2 m -45.52 -36.9 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.5 m -70.86 -30.32 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.4 mmm -68.15 -54.56 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.01 62.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.22 -55.79 29.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -56.75 -40.08 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.16 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 29' ' ' VAL . 65.0 m-85 -57.95 -49.25 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -47.7 -51.71 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -60.26 -37.82 81.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 mtp -73.21 -18.87 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 71.92 31.54 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' ASN . 99.2 t -100.5 102.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' VAL . 18.5 t-20 -34.58 107.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -116.51 171.95 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HE3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -139.03 108.48 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.4 p -100.27 139.14 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' HE3' ' A' ' 55' ' ' LYS . 44.0 t -127.42 114.94 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -80.01 102.85 9.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 HD12 ' A' ' 62' ' ' LEU . 98.3 mt -73.04 -54.26 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' OD1' HD23 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -38.93 -40.25 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 ' OD1' ' A' ' 60' ' ' ASP . 14.8 mt -80.66 -41.49 23.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.607 HD12 HD23 ' A' ' 59' ' ' LEU . 11.8 mt -47.98 125.72 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -49.46 -37.88 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 6.1 p90 -102.55 39.24 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -55.58 27.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -49.98 -25.13 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.85 -71.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -54.4 -29.41 48.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -58.73 -50.57 73.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -63.78 -50.21 69.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -41.31 -53.6 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.573 ' O ' HG23 ' A' ' 76' ' ' THR . 25.5 mt -64.16 -42.52 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.25 -26.72 63.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.14 -41.75 21.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtm -72.1 -31.5 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 72' ' ' LEU . 13.9 p -93.79 -43.28 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.51 -27.09 14.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.61 -175.24 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -134.81 44.93 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.739 ' N ' HH12 ' A' ' 83' ' ' ARG . 50.8 p -90.97 110.11 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.529 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.9 m -99.8 152.65 37.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 54.0 Cg_endo -69.72 -176.24 12.23 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.351 -0.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.739 HH12 ' N ' ' A' ' 80' ' ' THR . 13.8 mtp85 -129.77 111.66 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -98.36 132.14 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -127.23 117.99 23.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.667 HG23 HD12 ' A' ' 91' ' ' ILE . 91.7 t -105.35 111.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 55.51 44.44 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.626 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 64.76 40.87 97.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 m -149.01 136.71 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -80.73 120.66 24.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.52 -24.47 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 154.52 -176.84 32.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' C ' HD13 ' A' ' 84' ' ' ILE . . . -100.76 -154.67 27.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.21 -64.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -54.24 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -40.75 -62.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 100' ' ' LEU . 53.7 m -45.78 -42.66 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.86 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HE ' ' CG ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -70.21 -40.17 74.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 97' ' ' THR . 63.5 mt -53.81 -53.57 50.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.408 ' HB2' HD13 ' A' ' 106' ' ' LEU . 84.1 t60 -50.25 -45.33 54.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -55.57 -64.45 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' CG ' ' HE ' ' A' ' 99' ' ' ARG . 19.4 mm-40 -60.0 -27.11 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.84 51.86 1.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -128.62 -1.76 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.621 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.6 tt -101.16 -54.93 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.737 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.9 tm? -57.54 -42.54 96.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -47.95 -25.75 6.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CB ' HG11 ' A' ' 86' ' ' VAL . 14.6 mt -92.83 -39.84 10.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.82 -54.11 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.737 ' CE1' HD11 ' A' ' 107' ' ' LEU . 18.8 m170 -51.13 -50.81 58.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -44.04 -49.05 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.0 t -44.45 -64.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 2.1 p90 -106.8 34.77 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' HIS . 9.4 tp -54.19 169.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -75.87 50.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -90.94 -39.64 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.5 p -132.64 152.96 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.88 98.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -147.77 121.26 9.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -133.83 154.01 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -167.18 146.79 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 1.8 p90 -153.9 163.76 39.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.47 158.39 43.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.8 t -93.82 152.04 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.78 138.64 10.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.73 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.8 t -169.6 165.5 10.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.3 p -132.25 -59.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 38.25 42.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -78.82 -48.84 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.29 47.69 0.25 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -113.91 140.56 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -134.62 126.13 28.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.93 -134.03 6.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 62.77 46.84 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mp -102.6 38.1 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.44 175.43 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -40.7 153.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.72 124.12 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.39 22.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m 38.22 53.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -54.34 160.11 2.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.563 0.696 . . . . 0.0 111.103 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 18' ' ' ASN . 9.2 p -38.29 -42.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' N ' HG13 ' A' ' 17' ' ' VAL . 71.5 m-80 -60.3 -49.84 76.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -51.88 -23.66 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.706 HD11 ' HD1' ' A' ' 68' ' ' PHE . 40.9 mt -85.95 -45.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.49 -35.3 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.21 -34.05 63.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.5 m -73.62 -49.19 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.993 HD12 ' HA2' ' A' ' 88' ' ' GLY . 50.8 pt -64.02 -24.89 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 m -71.83 -40.72 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.28 -53.9 5.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -69.23 147.3 51.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -75.64 -47.47 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.11 125.35 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 32' ' ' PHE . 76.3 t -113.44 109.94 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.61 104.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.6 m-85 -94.24 110.76 22.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -112.58 165.56 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -133.39 31.08 3.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.451 ' CG2' HD21 ' A' ' 61' ' ' LEU . 33.2 p 32.4 44.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -123.8 -46.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.2 165.83 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 41' ' ' THR . 1.9 t -86.71 -32.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' HB3' ' CB ' ' A' ' 94' ' ' ALA . 21.3 m-85 -55.29 -17.67 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.4 p -55.67 -25.64 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 38' ' ' SER . 4.3 t -91.57 -37.15 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 43' ' ' ALA . 8.2 ptm -61.04 -41.76 97.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -68.62 -59.3 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.053 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' CE ' HG21 ' A' ' 56' ' ' VAL . 58.9 mttt -52.89 -36.99 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.44 -37.13 63.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.9 tp -52.18 -54.15 34.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -68.12 -36.73 80.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -54.66 -55.13 32.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.33 -28.46 66.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 mtp -80.03 -11.21 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 63.59 38.52 9.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -110.6 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.0 m-20 -34.56 116.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -120.09 171.31 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -129.95 105.47 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG21 ' CE ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -96.87 130.87 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.529 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 38.8 t -130.77 99.81 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.792 ' CB ' HD23 ' A' ' 61' ' ' LEU . 5.9 mt-10 -74.19 111.04 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 61' ' ' LEU . 12.8 mt -77.48 -45.68 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HB2' ' CA ' ' A' ' 34' ' ' LYS . 12.9 t70 -39.07 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.792 HD23 ' CB ' ' A' ' 58' ' ' GLU . 1.2 mm? -93.2 -46.89 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.3 153.82 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.58 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 13.2 pt-20 -77.99 -26.84 48.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -94.15 19.41 9.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.88 4.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.08 -24.74 4.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -79.47 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.706 ' HD1' HD11 ' A' ' 20' ' ' ILE . 17.0 m-85 -56.56 -24.55 47.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -61.75 -49.94 74.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE2' ' A' ' 74' ' ' LYS . 33.4 t0 -70.16 -47.03 63.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.42 -47.38 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.728 HD22 ' CZ ' ' A' ' 85' ' ' PHE . 29.7 mt -65.13 -53.45 45.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -46.72 -21.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE2' ' CG ' ' A' ' 70' ' ' ASP . 18.0 mttm -85.52 -45.09 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.1 mtm -69.62 -15.69 63.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 p -114.83 -39.96 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.38 57.55 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 80' ' ' THR . 6.0 tp10 -108.64 158.07 17.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 48.2 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.436 HG22 ' CG ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -111.36 149.68 30.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.1 m -133.15 154.92 81.41 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.3 Cg_endo -69.78 178.76 24.41 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.323 -0.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.481 HH21 HD12 ' A' ' 72' ' ' LEU . 3.2 mtm-85 -128.32 117.0 20.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HD11 ' A' ' 91' ' ' ILE . 5.2 mp -97.89 128.26 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.728 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 20.0 m-85 -121.56 117.92 27.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.702 HG23 HD12 ' A' ' 91' ' ' ILE . 20.2 t -111.78 108.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.5 t30 59.95 44.61 13.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.993 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.8 43.87 98.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.1 m -148.03 143.13 27.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -90.06 79.39 6.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.702 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -62.05 -16.1 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.49 11.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.46 -155.32 5.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . . . -59.68 -67.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -63.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.52 -61.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 100' ' ' LEU . 39.4 m -45.36 -47.28 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.59 -44.18 89.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -58.94 -42.85 90.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 97' ' ' THR . 57.5 mt -49.16 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.424 ' N ' ' HB2' ' A' ' 106' ' ' LEU . 1.9 t60 -39.94 -59.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -43.29 -63.7 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 5.1 mm-40 -65.21 -15.85 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.18 43.62 5.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' ' 103' ' ' GLU . 1.8 mttp -126.17 23.42 7.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 5.3 tt -110.36 -56.18 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.694 ' CD1' ' CE1' ' A' ' 111' ' ' HIS . 0.9 OUTLIER -55.99 -43.61 99.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.708 . . . . 0.0 110.932 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.5 Cg_exo -48.02 -34.4 23.01 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -83.48 -45.77 13.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.3 t -42.81 -55.36 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.694 ' CE1' ' CD1' ' A' ' 107' ' ' LEU . 39.2 m170 -50.1 -48.04 53.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 16.2 mt-30 -51.25 -16.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 114' ' ' TYR . 0.7 OUTLIER -72.29 -43.91 63.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.599 ' CD2' ' SG ' ' A' ' 113' ' ' CYS . 0.1 OUTLIER -134.55 42.24 2.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 112' ' ' GLN . 11.2 mt -56.09 -175.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.6 tptm -34.37 149.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.12 52.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -160.16 176.64 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -69.9 83.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -170.04 174.55 5.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -125.92 145.64 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.92 160.77 31.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -110.53 171.04 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -150.5 144.14 25.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.2 m -128.31 -52.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.19 99.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.95 2.19 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 51.2 m -71.35 176.08 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 45.6 t -135.46 110.11 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 m -127.99 109.84 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -125.12 -57.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 92.49 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -122.09 117.35 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t 37.53 41.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.96 112.13 3.61 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.1 m -92.22 162.29 14.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.0 92.18 8.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.93 176.2 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -42.93 146.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.47 115.38 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -86.77 24.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 14' ' ' THR . 18.4 m 35.6 37.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.741 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -44.53 165.6 0.14 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.741 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.73 -41.99 3.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 18' ' ' ASN . 14.3 p -52.61 -42.48 40.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 17' ' ' VAL . 64.1 m-80 -54.32 -43.36 71.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -59.53 -35.0 73.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -45.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.32 -35.47 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.17 -32.35 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 m -66.02 -42.02 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.691 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.8 pt -66.33 -36.54 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.159 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.6 p -61.42 -49.88 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.83 -60.86 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -66.66 154.2 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.2 m -81.1 -44.08 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 86' ' ' VAL . 98.8 t -138.4 125.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.94 122.98 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 mt -113.13 113.94 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 57' ' ' VAL . 61.8 m-85 -98.84 110.83 23.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 p -113.91 167.35 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.603 ' CD ' HG21 ' A' ' 81' ' ' VAL . 12.4 ptmt -135.04 36.25 3.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.751 ' CG2' HD21 ' A' ' 61' ' ' LEU . 82.3 p 28.25 47.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' ' 34' ' ' LYS . 8.7 t -135.0 -43.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.8 t -90.97 126.73 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.4 m -44.22 -52.76 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' MET . 25.7 m-85 -41.77 -37.65 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' TYR . 91.2 m -36.3 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' TYR . 3.1 t -86.49 -39.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 9.9 ptm -52.19 -43.12 64.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 42' ' ' MET . . . -57.76 -51.84 67.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HE2' HG21 ' A' ' 56' ' ' VAL . 16.1 mttm -60.09 -54.44 45.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -54.27 -45.94 72.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -48.08 -71.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -54.64 -49.5 70.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -46.19 -44.31 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -67.92 -33.96 75.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 101' ' ' HIS . 26.9 mtm -79.16 -7.84 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 63.14 32.91 14.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' ASN . 96.6 t -103.65 99.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' VAL . 29.0 t-20 -34.93 113.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -116.41 170.68 8.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -133.28 105.24 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG21 ' HE2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -98.95 136.28 30.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 46.4 t -130.91 99.99 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.939 ' HB3' HD23 ' A' ' 61' ' ' LEU . 1.8 mp0 -74.19 127.42 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 62' ' ' LEU . 12.2 mt -91.66 -45.63 8.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.84 -17.83 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.939 HD23 ' HB3' ' A' ' 58' ' ' GLU . 2.8 mm? -98.38 -32.21 11.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' LEU . 23.8 mt -62.3 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -82.28 -37.26 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -104.43 36.69 2.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.24 -47.35 55.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -52.74 -32.78 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -69.96 -70.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -55.76 -19.46 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -71.29 -45.97 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' OD2' ' CE ' ' A' ' 74' ' ' LYS . 31.4 t0 -66.68 -52.38 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 17' ' ' VAL . . . -45.14 -60.2 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.8 mt -44.16 -53.19 6.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' CD1' ' CG ' ' A' ' 79' ' ' ARG . 3.3 t80 -47.97 -53.84 14.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 17.0 mttm -58.76 -16.33 16.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.0 mtm -93.82 -35.79 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.417 HG22 ' HZ ' ' A' ' 85' ' ' PHE . 30.0 p -94.15 -61.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.14 10.7 51.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -121.54 -42.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' CG ' ' CD1' ' A' ' 73' ' ' TYR . 10.5 mtm180 70.21 46.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.9 p -119.37 114.6 22.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.603 HG21 ' CD ' ' A' ' 34' ' ' LYS . 31.0 m -97.16 152.27 38.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.998 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.74 -179.61 19.61 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.297 -0.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.411 ' NH2' HG13 ' A' ' 81' ' ' VAL . 24.3 mtt180 -136.76 115.03 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.24 139.68 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.417 ' HZ ' HG22 ' A' ' 76' ' ' THR . 10.7 m-85 -134.54 118.27 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.55 HG23 HD12 ' A' ' 91' ' ' ILE . 93.4 t -108.08 124.25 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 49.88 32.06 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 73.98 41.66 39.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.8 m -149.87 133.38 16.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -77.82 87.81 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -68.36 -23.77 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.23 155.14 7.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.96 -173.1 2.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.998 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.71 -59.1 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.7 m -56.97 -52.37 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.87 -65.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.432 ' O ' HD12 ' A' ' 106' ' ' LEU . 83.2 m -40.0 -46.53 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -56.41 -46.41 80.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -62.8 -48.84 77.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 97' ' ' THR . 97.3 mt -43.49 -56.05 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 84.4 t60 -48.16 -47.64 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -65.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.88 -27.41 65.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.15 49.01 1.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -127.2 2.96 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.614 ' C ' HD23 ' A' ' 106' ' ' LEU . 3.8 tt -102.29 -55.56 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.774 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.5 tm? -56.4 -42.97 98.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.3 Cg_exo -48.01 -30.3 13.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' HB2' HG11 ' A' ' 86' ' ' VAL . 7.5 mt -91.84 -30.79 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.408 HG23 HD23 ' A' ' 106' ' ' LEU . 70.3 t -60.91 -47.41 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.774 ' CE1' HD11 ' A' ' 107' ' ' LEU . 25.2 m170 -61.16 -40.9 95.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.799 ' HA ' HD12 ' A' ' 115' ' ' LEU . 4.6 mm100 -45.99 -34.26 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.3 t -53.64 -42.22 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 7.1 p90 -130.89 82.24 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 112' ' ' GLN . 12.7 mt -130.26 -41.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 117' ' ' LYS . 15.2 ptmt 40.17 40.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' LYS . 37.2 mmtt -35.28 -56.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.1 p -61.78 155.26 23.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -60.31 147.53 40.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -144.99 140.96 28.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -56.87 89.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -173.18 150.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.2 78.7 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -134.4 130.1 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.4 t -78.54 113.04 16.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.27 84.05 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 93.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.743 2.296 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.2 t -156.33 132.07 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.6 m -74.34 118.35 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -73.06 125.77 28.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -85.52 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.42 -130.22 1.72 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -40.3 107.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -100.37 92.57 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.92 -172.09 19.6 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.555 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.7 p -160.59 164.34 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' SER . 11.4 tp -34.96 105.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -82.21 49.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -88.12 22.47 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -113.27 171.89 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.93 23.55 12.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 14' ' ' THR . 16.9 m -107.77 37.41 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -49.58 160.39 0.59 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.527 0.679 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 -41.03 4.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -55.35 -38.2 47.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -59.82 -41.9 92.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -58.13 -34.49 70.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' ILE . 38.6 mt -74.43 -44.18 48.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -56.42 -40.74 75.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.67 -38.19 54.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -63.76 -51.61 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' ' 88' ' ' GLY . 42.4 pt -57.62 -32.92 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -71.62 -56.58 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -57.38 -59.45 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -60.59 165.86 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.2 t -97.64 -31.87 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 28' ' ' CYS . 94.8 t -152.52 122.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG22 ' HZ1' ' A' ' 55' ' ' LYS . 79.7 t -122.67 126.89 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 47' ' ' PHE . 64.0 mt -119.91 107.02 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.49 104.46 17.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 24.2 p -118.89 153.87 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.856 ' HD2' HG21 ' A' ' 81' ' ' VAL . 5.3 ptmt -116.14 137.97 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.0 p -61.57 -32.89 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -31.3 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.52 164.07 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' CYS . 3.5 m -94.48 -44.0 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 83.6 m-85 -41.0 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 33' ' ' SER . 29.4 p -46.99 -39.35 12.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 42' ' ' MET . 7.3 t -74.9 -41.86 58.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.434 ' N ' HG23 ' A' ' 41' ' ' THR . 14.1 mmm -43.58 -64.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.0 -44.19 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' HIS . 15.4 mtpp -61.9 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.97 -43.56 86.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD2' HG22 ' A' ' 97' ' ' THR . 50.2 tp -54.46 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 31' ' ' ILE . 75.2 m-85 -62.97 -56.32 18.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 5.6 t-160 -43.14 -45.91 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.17 -35.11 78.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 28.8 mtp -76.34 -13.93 60.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 t30 69.43 29.42 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -96.85 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -38.99 109.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -122.72 172.17 8.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HZ1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -131.03 111.31 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.46 139.62 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.8 t -127.98 106.89 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HB2' HD12 ' A' ' 61' ' ' LEU . 16.5 mp0 -71.98 101.22 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 62' ' ' LEU . 94.9 mt -65.01 -48.61 73.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.89 -36.47 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 58' ' ' GLU . 81.2 mt -79.29 -42.69 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.513 HD12 HD23 ' A' ' 59' ' ' LEU . 12.2 mt -47.07 117.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -44.32 -41.98 6.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -98.55 36.92 1.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.04 38.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -28.5 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -71.51 -71.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.46 -25.06 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -64.05 -43.21 96.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -68.38 -53.2 25.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 -48.76 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 34.5 mt -65.58 -37.77 87.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 77' ' ' GLY . 21.7 t80 -61.09 -29.56 69.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -80.04 -41.41 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 13.9 mtm -75.48 -23.62 56.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.0 p -103.25 -35.68 8.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 100.97 -29.21 13.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.02 171.03 10.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -112.42 46.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.9 p -89.16 152.71 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.856 HG21 ' HD2' ' A' ' 34' ' ' LYS . 23.6 m -153.86 153.61 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.156 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.658 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.76 -178.56 16.98 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.7 ' NH1' HG21 ' A' ' 76' ' ' THR . 1.2 mtp-105 -139.61 124.12 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.709 HD13 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -97.9 142.9 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.35 117.84 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.673 HG11 ' CB ' ' A' ' 109' ' ' LEU . 75.2 t -110.4 128.25 66.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 49.45 41.28 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 62.12 41.66 99.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.6 m -150.85 144.15 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 0.0 111.174 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -84.37 126.16 32.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.806 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -118.56 -29.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.01 168.15 29.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.25 -161.54 32.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 82' ' ' PRO . . . -49.43 -49.7 43.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -68.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -45.97 -58.36 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.751 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.8 m -46.59 -41.67 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.671 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.7 t60 -62.44 -40.54 96.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -71.73 -42.21 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 97' ' ' THR . 60.1 mt -49.71 -51.59 37.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.416 ' NE2' ' HG2' ' A' ' 50' ' ' MET . 48.0 t60 -50.06 -44.52 51.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -66.21 -53.2 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.75 -29.17 66.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.05 40.57 4.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -126.22 12.58 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 108' ' ' PRO . 8.5 tt -108.94 -54.95 2.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.924 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.7 OUTLIER -52.97 -44.49 96.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.944 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.6 Cg_exo -47.96 -27.22 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.673 ' CB ' HG11 ' A' ' 86' ' ' VAL . 5.5 mt -95.15 -28.43 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.447 HG23 HD23 ' A' ' 106' ' ' LEU . 58.1 t -67.65 -33.24 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.924 ' CE1' HD11 ' A' ' 107' ' ' LEU . 39.9 m170 -85.06 24.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -116.14 -61.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.3 -65.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 114' ' ' TYR . 1.6 p90 -86.46 31.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 111' ' ' HIS . 12.4 tp -78.64 161.61 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 51.1 pttt -35.26 -36.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 115' ' ' LEU . 19.3 ttpt -79.07 46.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 p -174.45 172.0 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -45.19 125.66 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -66.5 156.73 34.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -155.21 133.85 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -97.66 163.26 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -170.25 152.55 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -129.68 168.4 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 95.5 p -153.12 171.59 18.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -152.53 74.09 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 176.27 6.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.374 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -167.47 163.39 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.3 m -158.45 174.3 15.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -162.47 139.75 8.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -171.63 151.44 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.58 -45.85 0.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -48.57 102.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -160.78 122.59 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.79 164.72 33.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.1 m -141.93 176.75 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -133.55 116.15 15.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -80.37 -60.68 2.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -84.85 170.67 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -78.85 100.4 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.67 22.81 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 14' ' ' THR . 10.9 m 37.91 43.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -46.78 156.45 0.53 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 111.07 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.7 -40.09 5.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 4.4 p -49.09 -40.94 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.433 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 73.9 m-20 -59.37 -43.35 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -56.74 -33.85 66.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 72' ' ' LEU . 38.4 mt -75.32 -51.78 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -43.65 -34.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.03 -41.01 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -61.16 -43.8 98.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.51 -33.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 t -72.09 -50.33 29.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.35 -54.97 21.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.1 -178.92 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' HG23 ' A' ' 29' ' ' VAL . 5.1 t -105.87 -48.66 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' SG ' ' A' ' 28' ' ' CYS . 53.0 t -132.8 113.84 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG11 ' CE2' ' A' ' 32' ' ' PHE . 96.0 t -110.94 117.3 54.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 47' ' ' PHE . 62.1 mt -105.64 99.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.642 ' CE2' HG11 ' A' ' 30' ' ' VAL . 41.7 m-85 -90.54 104.26 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 82' ' ' PRO . 9.7 p -128.44 173.93 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.806 ' HD3' HG21 ' A' ' 81' ' ' VAL . 1.2 ptmm? -123.8 -174.68 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 61' ' ' LEU . 40.0 p -115.75 48.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 4.8 m -127.8 -28.15 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.51 169.58 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -91.58 -30.76 16.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.439 ' C ' ' HD3' ' A' ' 82' ' ' PRO . 76.4 m-85 -56.03 -14.54 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.1 t -59.04 -46.61 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -71.3 -27.65 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.3 mmm -57.47 -54.01 51.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -60.58 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -50.67 -52.74 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -58.09 -47.04 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.1 tp -47.65 -64.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD11 ' A' ' 31' ' ' ILE . 73.4 m-85 -57.68 -44.32 85.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -51.95 -47.78 64.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -63.11 -36.37 83.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.6 mtp -73.29 -15.79 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.77 32.46 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASN . 98.5 t -103.54 106.23 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.4 m-20 -36.47 113.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -123.61 165.88 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -131.47 105.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 44' ' ' LYS . 0.8 OUTLIER -97.38 144.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 88.5 t -137.89 106.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -76.32 104.91 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 62' ' ' LEU . 28.3 mt -70.69 -33.14 70.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.9 -45.36 94.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.617 HD11 HG21 ' A' ' 35' ' ' THR . 3.3 mp -68.31 -32.77 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 59' ' ' LEU . 19.5 mt -62.19 154.29 27.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -73.16 -53.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -88.47 28.37 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.2 -48.23 47.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -52.68 -20.42 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -80.41 -70.52 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.506 ' HD1' HD11 ' A' ' 20' ' ' ILE . 10.8 m-85 -55.76 -24.2 33.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.572 ' HG2' HD13 ' A' ' 59' ' ' LEU . 25.7 mt-30 -66.22 -38.98 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' CG ' ' HE3' ' A' ' 74' ' ' LYS . 17.6 t0 -69.86 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -39.87 -48.49 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 20' ' ' ILE . 26.4 mt -62.16 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.6 t80 -53.2 -29.47 32.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -77.43 -49.23 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HD23 ' A' ' 72' ' ' LEU . 29.8 mtm -51.3 -20.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.526 HG23 HH21 ' A' ' 83' ' ' ARG . 8.4 p -112.16 -60.26 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' N ' ' OG1' ' A' ' 76' ' ' THR . . . 122.76 8.38 6.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HG2' HG23 ' A' ' 80' ' ' THR . 4.2 tt0 -156.21 160.54 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.62 52.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.453 HG23 ' HG2' ' A' ' 78' ' ' GLU . 52.4 p -100.6 140.69 34.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.806 HG21 ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -135.55 159.68 70.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 0.0 111.154 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.75 -177.85 15.42 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.526 HH21 HG23 ' A' ' 76' ' ' THR . 10.4 mtp-105 -127.29 112.94 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.38 132.03 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.46 118.17 21.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.59 108.77 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.05 30.83 16.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.67 35.18 29.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.9 m -137.49 138.71 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -87.43 73.78 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.556 ' N ' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -61.57 -9.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 134.86 -173.76 21.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.59 -160.8 28.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.06 -58.37 6.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -54.46 -65.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.9 -61.43 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 100' ' ' LEU . 98.0 m -47.22 -40.62 16.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.74 -41.74 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -65.55 -41.15 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 97' ' ' THR . 77.1 mt -50.07 -59.32 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -45.93 -42.92 13.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -62.02 -61.17 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.79 -22.22 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.58 46.0 3.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -127.51 10.27 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.66 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.9 tt -110.37 -52.06 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.932 HD11 ' CE1' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.83 -43.33 97.6 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.722 . . . . 0.0 110.883 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 64.3 Cg_exo -47.93 -20.63 2.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.98 -49.48 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -43.54 -37.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.932 ' CE1' HD11 ' A' ' 107' ' ' LEU . 30.5 m170 -86.16 39.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.4 ' HA ' HD22 ' A' ' 115' ' ' LEU . 43.8 mt-30 -132.78 -33.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -67.66 -57.73 5.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.99 14.59 15.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 111' ' ' HIS . 8.0 tp -52.96 171.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -44.07 -35.9 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.29 39.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -172.94 167.4 5.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.85 122.58 10.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 ptt-85 -113.87 163.29 15.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -173.59 151.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -133.39 171.98 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -158.26 139.92 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -108.25 153.16 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.7 t -157.57 167.46 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.15 122.54 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.4 m -138.88 148.38 43.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.1 p -120.2 167.34 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -61.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -64.68 82.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.88 142.03 23.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -130.55 110.27 11.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.391 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -119.78 148.76 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.3 89.78 1.8 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -129.65 113.2 14.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -83.88 89.94 7.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -132.88 160.28 37.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -39.92 145.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' THR . 1.6 tt -42.35 -38.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' THR . . . 37.77 27.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' LEU . 2.0 m 34.06 54.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -65.91 166.77 14.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.075 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.8 -45.43 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 18' ' ' ASN . 3.3 p -49.65 -43.0 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.6 m-80 -61.63 -39.79 92.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -61.19 -23.15 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 72' ' ' LEU . 24.7 mt -90.51 -37.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.85 -32.28 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.0 -37.56 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 1.001 HG22 HG21 ' A' ' 30' ' ' VAL . 99.3 m -64.02 -51.27 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.428 HD12 ' HA2' ' A' ' 88' ' ' GLY . 49.3 pt -59.71 -23.39 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.5 t -78.31 -58.81 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.07 -55.92 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -72.85 142.81 47.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.11 -56.24 9.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.8 t -124.85 131.84 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.001 HG21 HG22 ' A' ' 23' ' ' THR . 72.9 t -127.45 110.51 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -96.54 137.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.622 ' CE2' HG12 ' A' ' 30' ' ' VAL . 62.7 m-85 -127.21 111.59 14.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 34' ' ' LYS . 1.8 t -121.16 172.56 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -126.24 12.05 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.5 p 49.27 34.56 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -115.86 -41.87 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 m -96.18 164.18 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.8 m -80.99 -30.94 34.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -49.26 -32.42 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.6 p -56.78 -35.73 69.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -73.21 -20.8 60.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mmm -76.65 -56.32 4.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.28 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -50.57 -62.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.0 mptt -49.09 -53.06 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 97' ' ' THR . 16.9 tp -39.97 -67.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -59.33 -42.79 92.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -48.02 -54.21 13.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -62.66 -29.65 70.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 38.6 mtp -78.07 -7.0 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.2 m120 56.51 34.9 25.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' ASN . 92.4 t -104.01 101.32 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.5 m120 -38.35 109.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -117.15 172.04 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -131.77 105.69 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.45 143.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 20.6 t -135.93 119.9 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CB ' HD22 ' A' ' 61' ' ' LEU . 3.9 mp0 -90.53 104.99 17.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.692 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.8 mt -68.02 -46.23 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -51.03 -44.61 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -70.53 -40.36 73.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.5 mt -49.6 160.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.78 -44.67 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -98.73 30.89 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.7 -54.75 10.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -45.1 -26.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -78.02 -70.03 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -56.37 -14.36 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -74.27 -45.54 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -75.08 -46.09 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.12 -47.42 23.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 76' ' ' THR . 29.7 mt -63.19 -50.41 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 3.7 t80 -44.43 -31.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -74.8 -45.48 43.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.3 mtm -75.58 -14.16 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 72' ' ' LEU . 11.3 p -107.02 -25.03 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . 70.91 21.87 78.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.96 -178.22 3.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -128.67 40.92 3.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -97.91 112.33 24.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.504 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 0.1 OUTLIER -108.54 158.82 32.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 81' ' ' VAL . 53.8 Cg_endo -69.77 179.86 21.16 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.363 -0.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.421 ' NH1' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -121.36 112.1 18.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 91' ' ' ILE . 5.3 mp -103.88 130.86 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' HZ ' HG22 ' A' ' 76' ' ' THR . 32.0 m-85 -125.83 119.7 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.631 HG23 HD12 ' A' ' 91' ' ' ILE . 61.9 t -109.07 106.82 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 67.61 32.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . 75.81 33.26 51.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -139.69 146.15 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -89.15 85.78 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.631 HD12 HG23 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -71.27 -19.5 20.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.88 176.83 18.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -89.37 -151.4 24.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.79 -65.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -50.46 -70.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -38.54 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 106' ' ' LEU . 24.1 m -41.88 -46.45 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.1 -39.42 94.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -66.37 -33.71 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 97' ' ' THR . 89.7 mt -56.5 -58.84 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.526 ' HB2' HD13 ' A' ' 106' ' ' LEU . 3.9 t60 -43.06 -46.98 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -59.55 -46.22 89.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.4 -18.06 60.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.69 49.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.526 ' CD ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -109.67 30.35 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 97' ' ' THR . 5.4 tt -122.61 -42.15 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.896 HD11 ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -69.73 -43.93 22.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 107' ' ' LEU . 65.4 Cg_exo -47.95 -18.25 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.386 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CB ' HG11 ' A' ' 86' ' ' VAL . 12.4 mt -95.6 -44.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.6 t -59.08 -29.53 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.896 ' CE1' HD11 ' A' ' 107' ' ' LEU . 34.5 m170 -89.69 22.38 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -124.49 -29.53 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 4.6 p -64.84 -53.43 46.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' A' ' 114' ' ' TYR . 2.5 p90 -89.74 22.9 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 111' ' ' HIS . 6.4 tp -86.26 177.21 7.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.1 tptt -33.37 121.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -80.23 103.69 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.9 m -63.94 -179.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -92.46 48.91 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -90.95 169.14 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -84.74 148.12 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -154.76 140.84 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -120.92 123.34 42.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -83.68 148.24 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -172.75 139.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 154.06 111.79 0.44 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 126' ' ' GLY . 53.5 Cg_endo -69.75 156.91 62.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.5 t -120.95 112.54 18.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.0 p -168.17 171.14 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.953 . . . . . . . . 0 0 . 1 stop_ save_